CID 1265009

Ind 9

Structural Information

Molecular Formula
C24H25ClN2O3
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC4CCCC4
InChI
InChI=1S/C24H25ClN2O3/c1-15-20(14-23(28)26-18-5-3-4-6-18)21-13-19(30-2)11-12-22(21)27(15)24(29)16-7-9-17(25)10-8-16/h7-13,18H,3-6,14H2,1-2H3,(H,26,28)
InChIKey
QNTSPVCOCABCSM-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

424.15536 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.16264 204.4
[M+Na]+ 447.14458 211.9
[M-H]- 423.14808 214.3
[M+NH4]+ 442.18918 218.2
[M+K]+ 463.11852 205.4
[M+H-H2O]+ 407.15262 196.2
[M+HCOO]- 469.15356 220.6
[M+CH3COO]- 483.16921 227.6
[M+Na-2H]- 445.13003 200.2
[M]+ 424.15481 209.0
[M]- 424.15591 209.0
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