CID 1077522

618078-01-6

Structural Information

Molecular Formula

C₁₉H₂₁N₅O₂

SMILES

CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)C4CCCCC4

InChI

InChI=1S/C19H21N5O2/c1-21-18(25)13-11-14-17(22-15-9-5-6-10-23(15)19(14)26)24(16(13)20)12-7-3-2-4-8-12/h5-6,9-12,20H,2-4,7-8H2,1H3,(H,21,25)

InChIKey

FXXMTGPLXDGKTR-UHFFFAOYSA-N

Compound name

7-cyclohexyl-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.16953 Da
Monoisotopic Mass: 1.3
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]+	352.176806	182.4
[M+Na]+	374.158748	190.5
[M-H]-	350.162254	186.8
[M+NH4]+	369.203353	192.5
[M+K]+	390.132688	183.8
[M+H-H2O]+	334.166790	171.2
[M+HCOO]-	396.167731	199.2
[M+CH3COO]-	410.183381	191.3
[M+Na-2H]-	372.144196	188.6
[M]+	351.16898142	179.9
[M]-	351.17007858	179.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.