CID 5279395

Chembl308297

Structural Information

Molecular Formula
C20H15N5O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=NC=CN=C4
InChI
InChI=1S/C20H15N5O2/c26-19(16-12-21-10-11-22-16)25-18-20(27)23-15-9-5-4-8-14(15)17(24-18)13-6-2-1-3-7-13/h1-12,18H,(H,23,27)(H,25,26)
InChIKey
YENFXWWANAWKKS-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

357.1226 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12988 187.5
[M+Na]+ 380.11182 194.3
[M-H]- 356.11532 192.8
[M+NH4]+ 375.15642 193.7
[M+K]+ 396.08576 191.9
[M+H-H2O]+ 340.11986 175.1
[M+HCOO]- 402.12080 202.9
[M+CH3COO]- 416.13645 195.3
[M+Na-2H]- 378.09727 193.5
[M]+ 357.12205 182.0
[M]- 357.12315 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe