CID 443375

Devazepide

Structural Information

Molecular Formula
C25H20N4O2
SMILES
CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5
InChI
InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
InChIKey
NFHRQQKPEBFUJK-HSZRJFAPSA-N
Compound name
N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

786
References

683
Patents

408.15863 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16591 202.5
[M+Na]+ 431.14785 216.4
[M+NH4]+ 426.19245 208.5
[M+K]+ 447.12179 210.7
[M-H]- 407.15135 207.6
[M+Na-2H]- 429.13330 210.0
[M]+ 408.15808 206.0
[M]- 408.15918 206.0
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

patents stripe