CID 49829

67369-99-7

Structural Information

Molecular Formula
C26H22ClNO4
SMILES
CC1=CC(=CC=C1)OC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C26H22ClNO4/c1-16-5-4-6-21(13-16)32-25(29)15-22-17(2)28(24-12-11-20(31-3)14-23(22)24)26(30)18-7-9-19(27)10-8-18/h4-14H,15H2,1-3H3
InChIKey
QDCVWPQCSLGGCA-UHFFFAOYSA-N
Compound name
(3-methylphenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.12375 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.13103 208.3
[M+Na]+ 470.11297 218.5
[M-H]- 446.11647 218.7
[M+NH4]+ 465.15757 219.8
[M+K]+ 486.08691 212.1
[M+H-H2O]+ 430.12101 198.8
[M+HCOO]- 492.12195 224.7
[M+CH3COO]- 506.13760 231.2
[M+Na-2H]- 468.09842 206.4
[M]+ 447.12320 217.8
[M]- 447.12430 217.8
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.