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 200.9
[M+Na]+ 422.18389 206.1
[M-H]- 398.18739 209.3
[M+NH4]+ 417.22849 208.9
[M+K]+ 438.15783 204.9
[M+H-H2O]+ 382.19193 190.0
[M+HCOO]- 444.19287 218.4
[M+CH3COO]- 458.20852 208.8
[M+Na-2H]- 420.16934 203.6
[M]+ 399.19412 198.5
[M]- 399.19522 198.5
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.