CID 11603310

Chembl383768

Structural Information

Molecular Formula
C20H14ClN3O3
SMILES
C1=CC=C2C(=C1)C(=NC(C(=O)N2)NC(=O)C3=CC=CO3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H14ClN3O3/c21-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)22-20(26)18(23-17)24-19(25)16-9-4-10-27-16/h1-11,18H,(H,22,26)(H,24,25)
InChIKey
UDLVISZTTALEGL-UHFFFAOYSA-N
Compound name
N-[5-(3-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

379.07236 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07964 189.3
[M+Na]+ 402.06158 197.9
[M-H]- 378.06508 198.2
[M+NH4]+ 397.10618 199.1
[M+K]+ 418.03552 196.3
[M+H-H2O]+ 362.06962 179.8
[M+HCOO]- 424.07056 203.2
[M+CH3COO]- 438.08621 198.8
[M+Na-2H]- 400.04703 191.5
[M]+ 379.07181 188.2
[M]- 379.07291 188.2
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