CID 40933

3-((4-chlorophenyl)phenylmethyl)-1h-indole-1-acetic acid

Structural Information

Molecular Formula
C23H18ClNO2
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C3=CN(C4=CC=CC=C43)CC(=O)O
InChI
InChI=1S/C23H18ClNO2/c24-18-12-10-17(11-13-18)23(16-6-2-1-3-7-16)20-14-25(15-22(26)27)21-9-5-4-8-19(20)21/h1-14,23H,15H2,(H,26,27)
InChIKey
IDAMBOKNMQODFE-UHFFFAOYSA-N
Compound name
2-[3-[(4-chlorophenyl)-phenylmethyl]indol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1026 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10988 188.9
[M+Na]+ 398.09182 197.6
[M-H]- 374.09532 197.2
[M+NH4]+ 393.13642 202.0
[M+K]+ 414.06576 189.6
[M+H-H2O]+ 358.09986 180.0
[M+HCOO]- 420.10080 204.5
[M+CH3COO]- 434.11645 199.1
[M+Na-2H]- 396.07727 190.2
[M]+ 375.10205 192.5
[M]- 375.10315 192.5
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.