CID 3068960

Brn 5145064

Structural Information

Molecular Formula
C18H17ClN4O2
SMILES
CC(=O)NNC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C
InChI
InChI=1S/C18H17ClN4O2/c1-11(24)21-22-17-18(25)23(2)15-9-8-13(19)10-14(15)16(20-17)12-6-4-3-5-7-12/h3-10,17,22H,1-2H3,(H,21,24)
InChIKey
KSUJUNBPNGAMPZ-UHFFFAOYSA-N
Compound name
N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.104 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11128 183.7
[M+Na]+ 379.09322 192.4
[M-H]- 355.09672 190.1
[M+NH4]+ 374.13782 195.1
[M+K]+ 395.06716 191.8
[M+H-H2O]+ 339.10126 174.2
[M+HCOO]- 401.10220 199.5
[M+CH3COO]- 415.11785 193.5
[M+Na-2H]- 377.07867 187.3
[M]+ 356.10345 183.1
[M]- 356.10455 183.1
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.