CID 37155

Brn 0447164

Structural Information

Molecular Formula
C19H16ClNO4
SMILES
CC1=C(N2C=CC=C(C2=C1CC(=O)O)OC)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO4/c1-11-14(10-16(22)23)18-15(25-2)4-3-9-21(18)17(11)19(24)12-5-7-13(20)8-6-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey
BVWKNQGEDUMEON-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorobenzoyl)-8-methoxy-2-methylindolizin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07678 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08406 180.0
[M+Na]+ 380.06600 191.0
[M-H]- 356.06950 186.4
[M+NH4]+ 375.11060 194.9
[M+K]+ 396.03994 185.2
[M+H-H2O]+ 340.07404 173.1
[M+HCOO]- 402.07498 196.4
[M+CH3COO]- 416.09063 212.4
[M+Na-2H]- 378.05145 180.2
[M]+ 357.07623 187.9
[M]- 357.07733 187.9
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.