CID 135399689

Chembl383617

Structural Information

Molecular Formula
C20H21N3O3
SMILES
C1CCC(CC1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CO4
InChI
InChI=1S/C20H21N3O3/c24-19(16-11-6-12-26-16)23-18-20(25)21-15-10-5-4-9-14(15)17(22-18)13-7-2-1-3-8-13/h4-6,9-13,18H,1-3,7-8H2,(H,21,25)(H,23,24)
InChIKey
SLEIAFMHUCVJJA-UHFFFAOYSA-N
Compound name
N-(5-cyclohexyl-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

0
Patents

351.1583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 183.7
[M+Na]+ 374.14752 186.9
[M-H]- 350.15102 191.3
[M+NH4]+ 369.19212 192.9
[M+K]+ 390.12146 186.5
[M+H-H2O]+ 334.15556 174.0
[M+HCOO]- 396.15650 197.7
[M+CH3COO]- 410.17215 191.6
[M+Na-2H]- 372.13297 184.1
[M]+ 351.15775 175.8
[M]- 351.15885 175.8
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

No patent data available for this compound.