CID 3068963

Brn 5141388

Structural Information

Molecular Formula
C20H21ClN4O2
SMILES
CC(C)(C)C(=O)NNC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C20H21ClN4O2/c1-20(2,3)19(27)25-24-17-18(26)22-15-10-9-13(21)11-14(15)16(23-17)12-7-5-4-6-8-12/h4-11,17,24H,1-3H3,(H,22,26)(H,25,27)
InChIKey
MEKRZOBGTDEZJV-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,2-dimethylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1353 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14258 192.8
[M+Na]+ 407.12452 199.8
[M-H]- 383.12802 197.7
[M+NH4]+ 402.16912 202.4
[M+K]+ 423.09846 198.8
[M+H-H2O]+ 367.13256 183.7
[M+HCOO]- 429.13350 205.1
[M+CH3COO]- 443.14915 221.3
[M+Na-2H]- 405.10997 196.7
[M]+ 384.13475 190.3
[M]- 384.13585 190.3
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.