CID 121919

Gidazepam

Structural Information

Molecular Formula
C17H15BrN4O2
SMILES
C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC(=O)NN
InChI
InChI=1S/C17H15BrN4O2/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)20-9-16(24)22(14)10-15(23)21-19/h1-8H,9-10,19H2,(H,21,23)
InChIKey
XLGCMZLSEXRBSG-UHFFFAOYSA-N
Compound name
2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

141
Patents

386.03784 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04512 178.2
[M+Na]+ 409.02706 187.0
[M-H]- 385.03056 186.2
[M+NH4]+ 404.07166 190.5
[M+K]+ 425.00100 179.6
[M+H-H2O]+ 369.03510 174.6
[M+HCOO]- 431.03604 195.5
[M+CH3COO]- 445.05169 189.1
[M+Na-2H]- 407.01251 183.3
[M]+ 386.03729 191.5
[M]- 386.03839 191.5
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