CID 3061464

Brn 4718126

Structural Information

Molecular Formula
C18H15N5O2
SMILES
CC1=NC=CN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C18H15N5O2/c1-12-19-9-10-22(12)11-16(24)23-15-7-3-2-5-13(15)18(25)21-14-6-4-8-20-17(14)23/h2-10H,11H2,1H3,(H,21,25)
InChIKey
BGUSDQMLLINOMU-UHFFFAOYSA-N
Compound name
11-[2-(2-methylimidazol-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1226 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12988 180.7
[M+Na]+ 356.11182 190.2
[M-H]- 332.11532 183.7
[M+NH4]+ 351.15642 190.3
[M+K]+ 372.08576 187.0
[M+H-H2O]+ 316.11986 169.1
[M+HCOO]- 378.12080 194.0
[M+CH3COO]- 392.13645 189.5
[M+Na-2H]- 354.09727 183.6
[M]+ 333.12205 178.3
[M]- 333.12315 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.