CID 53394457

1307803-52-6

Structural Information

Molecular Formula
C23H19NO3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCC(=O)O
InChI
InChI=1S/C23H19NO3/c25-22(26)13-6-14-24-15-20(18-10-3-4-12-21(18)24)23(27)19-11-5-8-16-7-1-2-9-17(16)19/h1-5,7-12,15H,6,13-14H2,(H,25,26)
InChIKey
YQRYKVLRMJAKGU-UHFFFAOYSA-N
Compound name
4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

357.1365 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14378 185.8
[M+Na]+ 380.12572 193.7
[M-H]- 356.12922 191.9
[M+NH4]+ 375.17032 199.8
[M+K]+ 396.09966 187.2
[M+H-H2O]+ 340.13376 177.0
[M+HCOO]- 402.13470 204.7
[M+CH3COO]- 416.15035 195.9
[M+Na-2H]- 378.11117 188.3
[M]+ 357.13595 188.9
[M]- 357.13705 188.9
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