CID 3068963

84044-30-4

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]+ 385.142576 192.8
[M+Na]+ 407.124518 199.8
[M-H]- 383.128024 197.7
[M+NH4]+ 402.169123 202.4
[M+K]+ 423.098458 198.8
[M+H-H2O]+ 367.132560 183.7
[M+HCOO]- 429.133501 205.1
[M+CH3COO]- 443.149151 221.3
[M+Na-2H]- 405.109966 196.7
[M]+ 384.13475142 190.3
[M]- 384.13584858 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.