CID 343504

Nsc636990

Structural Information

Molecular Formula
C20H14ClN3O2
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)NC3C=NC4=C(C=C(C=C4)Cl)NC3=O
InChI
InChI=1S/C20H14ClN3O2/c21-15-7-8-16-17(10-15)23-20(26)18(11-22-16)24-19(25)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,18H,(H,23,26)(H,24,25)
InChIKey
YSUMQBGUQMWOAA-UHFFFAOYSA-N
Compound name
N-(8-chloro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.07745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08473 183.7
[M+Na]+ 386.06667 192.7
[M-H]- 362.07017 189.3
[M+NH4]+ 381.11127 194.9
[M+K]+ 402.04061 189.7
[M+H-H2O]+ 346.07471 174.9
[M+HCOO]- 408.07565 196.2
[M+CH3COO]- 422.09130 192.9
[M+Na-2H]- 384.05212 189.2
[M]+ 363.07690 181.3
[M]- 363.07800 181.3
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.