CID 22633

6264-33-1

Structural Information

Molecular Formula
C19H17ClN2O3
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N
InChI
InChI=1S/C19H17ClN2O3/c1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H2,21,23)
InChIKey
YNDQHILWWBPAPR-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

356.09277 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10005 183.0
[M+Na]+ 379.08199 193.7
[M-H]- 355.08549 190.1
[M+NH4]+ 374.12659 198.2
[M+K]+ 395.05593 187.7
[M+H-H2O]+ 339.09003 175.6
[M+HCOO]- 401.09097 201.0
[M+CH3COO]- 415.10662 216.5
[M+Na-2H]- 377.06744 182.9
[M]+ 356.09222 189.5
[M]- 356.09332 189.5
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