PubChemLite - N-(cyclopropylmethyl-methyl-oxo-[?]yl)acetamide (C17H22N4O2)

Structural Information

Molecular Formula

SMILES

C[C@H]1CN2C3=C(CN1CC4CC4)C=C(C=C3NC2=O)NC(=O)C

InChI

InChI=1S/C17H22N4O2/c1-10-7-21-16-13(9-20(10)8-12-3-4-12)5-14(18-11(2)22)6-15(16)19-17(21)23/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,18,22)(H,19,23)/t10-/m0/s1

InChIKey

PVEYDAMCKPXQBK-JTQLQIEISA-N

Compound name

N-[(11S)-10-(cyclopropylmethyl)-11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-6-yl]acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.18158	177.1
[M+Na]+	337.16352	186.6
[M-H]-	313.16702	182.1
[M+NH4]+	332.20812	186.2
[M+K]+	353.13746	183.0
[M+H-H2O]+	297.17156	168.8
[M+HCOO]-	359.17250	193.1
[M+CH3COO]-	373.18815	186.3
[M+Na-2H]-	335.14897	178.7
[M]+	314.17375	178.1
[M]-	314.17485	178.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

315.18158

177.1

[M+Na]+

337.16352

186.6

[M-H]-

313.16702

182.1

[M+NH4]+

332.20812

186.2

[M+K]+

353.13746

183.0

[M+H-H2O]+

297.17156

168.8

[M+HCOO]-

359.17250

193.1

[M+CH3COO]-

373.18815

186.3

[M+Na-2H]-

335.14897

178.7

[M]+

314.17375

178.1

[M]-

314.17485

178.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-(cyclopropylmethyl-methyl-oxo-[?]yl)acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe