CID 42271

Ru 4571

Structural Information

Molecular Formula
C19H15Cl2NO3
SMILES
CC1=C(C2=C(N1C(C)C(=O)O)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15Cl2NO3/c1-10-17(18(23)12-3-5-13(20)6-4-12)15-8-7-14(21)9-16(15)22(10)11(2)19(24)25/h3-9,11H,1-2H3,(H,24,25)
InChIKey
MAOXMLVXRLEXEV-UHFFFAOYSA-N
Compound name
2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0429 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.05018 182.5
[M+Na]+ 398.03212 198.3
[M+NH4]+ 393.07672 189.9
[M+K]+ 414.00606 192.6
[M-H]- 374.03562 185.3
[M+Na-2H]- 396.01757 188.6
[M]+ 375.04235 186.2
[M]- 375.04345 186.2
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.