CID 37788

Brn 1092506

Structural Information

Molecular Formula
C19H14ClNO5
SMILES
CC1=C(C2=CC3=C(C=C2N1C(=O)C4=CC=C(C=C4)Cl)OCO3)CC(=O)O
InChI
InChI=1S/C19H14ClNO5/c1-10-13(7-18(22)23)14-6-16-17(26-9-25-16)8-15(14)21(10)19(24)11-2-4-12(20)5-3-11/h2-6,8H,7,9H2,1H3,(H,22,23)
InChIKey
UNJXYKQUBNUFDO-UHFFFAOYSA-N
Compound name
2-[5-(4-chlorobenzoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

371.05606 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.06334 180.9
[M+Na]+ 394.04528 195.3
[M+NH4]+ 389.08988 187.9
[M+K]+ 410.01922 193.5
[M-H]- 370.04878 185.7
[M+Na-2H]- 392.03073 184.0
[M]+ 371.05551 184.6
[M]- 371.05661 184.6
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