CID 6604009

Sb 222200

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

143
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.