CID 91864527

Mam-2201 n-pentanoic acid metabolite

Structural Information

Molecular Formula
C25H23NO3
SMILES
CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCCC(=O)O
InChI
InChI=1S/C25H23NO3/c1-17-13-14-21(19-9-3-2-8-18(17)19)25(29)22-16-26(15-7-6-12-24(27)28)23-11-5-4-10-20(22)23/h2-5,8-11,13-14,16H,6-7,12,15H2,1H3,(H,27,28)
InChIKey
CXHVTSVFMMQERU-UHFFFAOYSA-N
Compound name
5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1678 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.175076 195.3
[M+Na]+ 408.157018 203.1
[M-H]- 384.160524 201.4
[M+NH4]+ 403.201623 208.4
[M+K]+ 424.130958 196.3
[M+H-H2O]+ 368.165060 186.3
[M+HCOO]- 430.166001 213.4
[M+CH3COO]- 444.181651 204.8
[M+Na-2H]- 406.142466 195.9
[M]+ 385.16725142 199.4
[M]- 385.16834858 199.4
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.