CID 6604009

174635-69-9

Structural Information

Molecular Formula
C26H24N2O
SMILES
CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C
InChI
InChI=1S/C26H24N2O/c1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h4-17,22H,3H2,1-2H3,(H,28,29)/t22-/m0/s1
InChIKey
MQNYRKWJSMQECI-QFIPXVFZSA-N
Compound name
3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

66
References

97
Patents

380.18887 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19615 195.2
[M+Na]+ 403.17809 200.4
[M-H]- 379.18159 203.5
[M+NH4]+ 398.22269 205.3
[M+K]+ 419.15203 193.4
[M+H-H2O]+ 363.18613 183.7
[M+HCOO]- 425.18707 214.1
[M+CH3COO]- 439.20272 203.8
[M+Na-2H]- 401.16354 198.3
[M]+ 380.18832 194.4
[M]- 380.18942 194.4
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