CID 5279408

Schembl642001

Structural Information

Molecular Formula
C28H23N3O3
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5
InChI
InChI=1S/C28H23N3O3/c1-2-34-23-17-16-18-10-6-7-13-20(18)24(23)27(32)31-26-28(33)29-22-15-9-8-14-21(22)25(30-26)19-11-4-3-5-12-19/h3-17,26H,2H2,1H3,(H,29,33)(H,31,32)
InChIKey
VPFRPOXNGFIQQS-UHFFFAOYSA-N
Compound name
2-ethoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

449.17395 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.18123 213.4
[M+Na]+ 472.16317 219.2
[M-H]- 448.16667 221.6
[M+NH4]+ 467.20777 219.6
[M+K]+ 488.13711 216.7
[M+H-H2O]+ 432.17121 202.6
[M+HCOO]- 494.17215 228.3
[M+CH3COO]- 508.18780 220.1
[M+Na-2H]- 470.14862 216.5
[M]+ 449.17340 210.1
[M]- 449.17450 210.1
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