CID 40931

53924-12-2

Structural Information

Molecular Formula
C29H23NO3
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O
InChI
InChI=1S/C29H23NO3/c31-29(32)28-27(26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)24-18-23(16-17-25(24)30-28)33-19-20-10-4-1-5-11-20/h1-18,26,30H,19H2,(H,31,32)
InChIKey
QHNVJRFWGOYONQ-UHFFFAOYSA-N
Compound name
3-benzhydryl-5-phenylmethoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1678 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17508 205.3
[M+Na]+ 456.15702 210.5
[M-H]- 432.16052 214.9
[M+NH4]+ 451.20162 213.2
[M+K]+ 472.13096 202.7
[M+H-H2O]+ 416.16506 194.2
[M+HCOO]- 478.16600 222.8
[M+CH3COO]- 492.18165 213.1
[M+Na-2H]- 454.14247 205.8
[M]+ 433.16725 204.9
[M]- 433.16835 204.9
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.