CID 44570859

Refchem:913149

Structural Information

Molecular Formula
C26H23N3O
SMILES
C1CC1[C@@H](C2=CC=CC=C2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)N
InChI
InChI=1S/C26H23N3O/c27-23-22(26(30)29-24(19-15-16-19)17-9-3-1-4-10-17)20-13-7-8-14-21(20)28-25(23)18-11-5-2-6-12-18/h1-14,19,24H,15-16,27H2,(H,29,30)/t24-/m1/s1
InChIKey
IJZKXXAVXWWWOP-XMMPIXPASA-N
Compound name
3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

0
Patents

393.1841 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19138 188.5
[M+Na]+ 416.17332 194.7
[M-H]- 392.17682 199.4
[M+NH4]+ 411.21792 193.0
[M+K]+ 432.14726 187.5
[M+H-H2O]+ 376.18136 178.1
[M+HCOO]- 438.18230 209.1
[M+CH3COO]- 452.19795 196.8
[M+Na-2H]- 414.15877 192.4
[M]+ 393.18355 187.4
[M]- 393.18465 187.4
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

No patent data available for this compound.