CID 206045

Brn 0435618

Structural Information

Molecular Formula
C20H18ClNO2
SMILES
CC1=C(C=C(C=C1)N2C(=C(C=C2C3=CC=CC=C3)CC(=O)O)C)Cl
InChI
InChI=1S/C20H18ClNO2/c1-13-8-9-17(12-18(13)21)22-14(2)16(11-20(23)24)10-19(22)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKey
JOVXGRJAFQSVSG-UHFFFAOYSA-N
Compound name
2-[1-(3-chloro-4-methylphenyl)-2-methyl-5-phenylpyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1026 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10988 180.4
[M+Na]+ 362.09182 196.8
[M+NH4]+ 357.13642 188.6
[M+K]+ 378.06576 189.8
[M-H]- 338.09532 185.9
[M+Na-2H]- 360.07727 189.3
[M]+ 339.10205 184.8
[M]- 339.10315 184.8
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.