CID 1760285

Chembl9960

Structural Information

Molecular Formula
C25H22N2O
SMILES
CC[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)/t22-/m0/s1
InChIKey
MXNGYQJJYRVGGJ-QFIPXVFZSA-N
Compound name
2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

128
Patents

366.17322 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18050 191.4
[M+Na]+ 389.16244 208.1
[M+NH4]+ 384.20704 200.2
[M+K]+ 405.13638 197.7
[M-H]- 365.16594 199.6
[M+Na-2H]- 387.14789 203.2
[M]+ 366.17267 196.4
[M]- 366.17377 196.4
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