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 179.2
[M+Na]+ 356.11182 191.3
[M+NH4]+ 351.15642 184.1
[M+K]+ 372.08576 188.0
[M-H]- 332.11532 179.9
[M+Na-2H]- 354.09727 183.9
[M]+ 333.12205 181.0
[M]- 333.12315 181.0
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.