CID 5279409

Schembl642827

Structural Information

Molecular Formula
C29H19N3O3
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC=CC5=C4C(=O)C6=CC=CC=C56
InChI
InChI=1S/C29H19N3O3/c33-26-20-12-5-4-11-18(20)19-14-8-15-22(24(19)26)28(34)32-27-29(35)30-23-16-7-6-13-21(23)25(31-27)17-9-2-1-3-10-17/h1-16,27H,(H,30,35)(H,32,34)
InChIKey
BVNSGYDCUCBERD-UHFFFAOYSA-N
Compound name
9-oxo-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)fluorene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

457.14264 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.14992 214.6
[M+Na]+ 480.13186 222.3
[M-H]- 456.13536 224.9
[M+NH4]+ 475.17646 223.2
[M+K]+ 496.10580 218.0
[M+H-H2O]+ 440.13990 205.1
[M+HCOO]- 502.14084 229.8
[M+CH3COO]- 516.15649 222.1
[M+Na-2H]- 478.11731 216.2
[M]+ 457.14209 211.2
[M]- 457.14319 211.2
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.