CID 3068735

83736-55-4

Structural Information

Molecular Formula
C25H25N3O2
SMILES
CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H25N3O2/c1-28-20(17-27-25(29)19-12-14-21(30-2)15-13-19)16-26-24(18-8-4-3-5-9-18)22-10-6-7-11-23(22)28/h3-15,20H,16-17H2,1-2H3,(H,27,29)
InChIKey
VONYXJYLUJLKLA-UHFFFAOYSA-N
Compound name
4-methoxy-N-[(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.19467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20195 201.8
[M+Na]+ 422.18389 215.3
[M+NH4]+ 417.22849 208.2
[M+K]+ 438.15783 207.4
[M-H]- 398.18739 207.8
[M+Na-2H]- 420.16934 210.4
[M]+ 399.19412 205.6
[M]- 399.19522 205.6
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.