CID 123723

Veliflapon

Structural Information

Molecular Formula
C23H23NO3
SMILES
C1CCC(C1)[C@H](C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O
InChI
InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1
InChIKey
ZEYYDOLCHFETHQ-JOCHJYFZSA-N
Compound name
(2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

67
References

3041
Patents

361.1678 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17508 186.8
[M+Na]+ 384.15702 190.4
[M-H]- 360.16052 193.7
[M+NH4]+ 379.20162 198.8
[M+K]+ 400.13096 185.1
[M+H-H2O]+ 344.16506 177.1
[M+HCOO]- 406.16600 202.9
[M+CH3COO]- 420.18165 195.3
[M+Na-2H]- 382.14247 186.5
[M]+ 361.16725 184.5
[M]- 361.16835 184.6
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