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]+ 352.165576 183.7
[M+Na]+ 374.147518 186.9
[M-H]- 350.151024 191.3
[M+NH4]+ 369.192123 192.9
[M+K]+ 390.121458 186.5
[M+H-H2O]+ 334.155560 174.0
[M+HCOO]- 396.156501 197.7
[M+CH3COO]- 410.172151 191.6
[M+Na-2H]- 372.132966 184.1
[M]+ 351.15775142 175.8
[M]- 351.15884858 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.