CID 60041330

402849-26-7

Structural Information

Molecular Formula
C19H15Cl2NO4
SMILES
CC1=C(C2=C(N1C(=O)C3=CC(=C(C=C3)Cl)Cl)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C19H15Cl2NO4/c1-10-13(9-18(23)24)14-8-12(26-2)4-6-17(14)22(10)19(25)11-3-5-15(20)16(21)7-11/h3-8H,9H2,1-2H3,(H,23,24)
InChIKey
CVBHEFZJZLHDGA-UHFFFAOYSA-N
Compound name
2-[1-(3,4-dichlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

391.0378 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.04508 185.1
[M+Na]+ 414.02702 197.4
[M-H]- 390.03052 191.2
[M+NH4]+ 409.07162 199.6
[M+K]+ 430.00096 190.7
[M+H-H2O]+ 374.03506 179.1
[M+HCOO]- 436.03600 196.5
[M+CH3COO]- 450.05165 217.1
[M+Na-2H]- 412.01247 184.1
[M]+ 391.03725 194.6
[M]- 391.03835 194.6
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

patents stripe