CID 4292

261766-32-9

Structural Information

Molecular Formula
C27H25ClN2O3
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=CC=C4
InChI
InChI=1S/C27H25ClN2O3/c1-18-23(17-26(31)29-15-14-19-6-4-3-5-7-19)24-16-22(33-2)12-13-25(24)30(18)27(32)20-8-10-21(28)11-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,29,31)
InChIKey
VYDBTNADENXYSN-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

61
Patents

460.15536 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.16264 214.1
[M+Na]+ 483.14458 222.3
[M-H]- 459.14808 223.8
[M+NH4]+ 478.18918 224.4
[M+K]+ 499.11852 214.8
[M+H-H2O]+ 443.15262 204.0
[M+HCOO]- 505.15356 231.0
[M+CH3COO]- 519.16921 235.7
[M+Na-2H]- 481.13003 212.9
[M]+ 460.15481 221.5
[M]- 460.15591 221.5
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