CID 362811

116834-27-6

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC(C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)C(=O)O
InChI
InChI=1S/C16H15N3O2/c1-12(16(20)21)14-11-17-19(13-7-3-2-4-8-13)15(14)18-9-5-6-10-18/h2-12H,1H3,(H,20,21)
InChIKey
CYELEOGKEPKXLS-UHFFFAOYSA-N
Compound name
2-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 163.6
[M+Na]+ 304.10564 176.7
[M+NH4]+ 299.15024 170.0
[M+K]+ 320.07958 174.9
[M-H]- 280.10914 166.3
[M+Na-2H]- 302.09109 172.1
[M]+ 281.11587 166.1
[M]- 281.11697 166.1
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.