CID 5279413

Schembl642794

Structural Information

Molecular Formula
C24H17N3O3
SMILES
C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)NC(=O)C4=CC5=CC=CC=C5O4
InChI
InChI=1S/C24H17N3O3/c28-23(20-14-16-10-4-7-13-19(16)30-20)27-22-24(29)25-18-12-6-5-11-17(18)21(26-22)15-8-2-1-3-9-15/h1-14,22H,(H,25,29)(H,27,28)/t22-/m1/s1
InChIKey
HZQIQDLYJFSECO-JOCHJYFZSA-N
Compound name
N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

395.12698 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13426 196.2
[M+Na]+ 418.11620 204.2
[M-H]- 394.11970 206.5
[M+NH4]+ 413.16080 205.2
[M+K]+ 434.09014 202.3
[M+H-H2O]+ 378.12424 187.1
[M+HCOO]- 440.12518 214.0
[M+CH3COO]- 454.14083 205.4
[M+Na-2H]- 416.10165 200.2
[M]+ 395.12643 194.4
[M]- 395.12753 194.4
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

patents stripe