CID 5279406

Schembl643307

Structural Information

Molecular Formula
C19H15N5O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CNN=C4
InChI
InChI=1S/C19H15N5O2/c25-18(13-10-20-21-11-13)24-17-19(26)22-15-9-5-4-8-14(15)16(23-17)12-6-2-1-3-7-12/h1-11,17H,(H,20,21)(H,22,26)(H,24,25)
InChIKey
DTKARVNDTIBASA-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

345.1226 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12988 183.1
[M+Na]+ 368.11182 189.7
[M-H]- 344.11532 188.0
[M+NH4]+ 363.15642 191.0
[M+K]+ 384.08576 186.6
[M+H-H2O]+ 328.11986 171.5
[M+HCOO]- 390.12080 198.4
[M+CH3COO]- 404.13645 191.0
[M+Na-2H]- 366.09727 186.2
[M]+ 345.12205 176.6
[M]- 345.12315 176.6
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

patents stripe