CID 3071171

87474-35-9

Structural Information

Molecular Formula

C₁₇H₂₀N₄O

SMILES

CC(=O)NCC1CC(NC2=C(N1)C=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O/c1-12(22)19-11-14-10-16(13-6-3-2-4-7-13)21-17-15(20-14)8-5-9-18-17/h2-9,14,16,20H,10-11H2,1H3,(H,18,21)(H,19,22)

InChIKey

OEJCSNLWCXRCTJ-UHFFFAOYSA-N

Compound name

N-[(4-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-2-yl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 296.1637 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

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]+	297.170976	171.0
[M+Na]+	319.152918	175.2
[M-H]-	295.156424	172.7
[M+NH4]+	314.197523	180.6
[M+K]+	335.126858	173.5
[M+H-H2O]+	279.160960	161.0
[M+HCOO]-	341.161901	184.6
[M+CH3COO]-	355.177551	178.7
[M+Na-2H]-	317.138366	175.5
[M]+	296.16315142	162.6
[M]-	296.16424858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.