CID 3073464

148930-21-6

Structural Information

Molecular Formula
C26H25N3O3
SMILES
CN(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=C3)NC4=CC=CC=C4)CC(=O)O
InChI
InChI=1S/C26H25N3O3/c1-28(2)20-15-13-18(14-16-20)25-22(17-23(30)31)24(27-19-9-5-3-6-10-19)26(32)29(25)21-11-7-4-8-12-21/h3-16,25,27H,17H2,1-2H3,(H,30,31)
InChIKey
DMRFAMITDZCWLH-UHFFFAOYSA-N
Compound name
2-[4-anilino-2-[4-(dimethylamino)phenyl]-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1896 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19688 203.5
[M+Na]+ 450.17882 208.1
[M-H]- 426.18232 215.2
[M+NH4]+ 445.22342 212.1
[M+K]+ 466.15276 202.9
[M+H-H2O]+ 410.18686 192.2
[M+HCOO]- 472.18780 225.1
[M+CH3COO]- 486.20345 235.0
[M+Na-2H]- 448.16427 201.8
[M]+ 427.18905 203.4
[M]- 427.19015 203.4
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.