CID 366177

Nsc634504

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C19H18N2O3/c1-19(18(23)24-2)13-16(20-14-9-5-3-6-10-14)17(22)21(19)15-11-7-4-8-12-15/h3-13,20H,1-2H3
InChIKey
BOHUAQRCGHGMHG-UHFFFAOYSA-N
Compound name
methyl 4-anilino-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.13174 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 174.5
[M+Na]+ 345.120958 182.0
[M-H]- 321.124464 183.6
[M+NH4]+ 340.165563 190.4
[M+K]+ 361.094898 178.0
[M+H-H2O]+ 305.129000 165.6
[M+HCOO]- 367.129941 197.7
[M+CH3COO]- 381.145591 208.4
[M+Na-2H]- 343.106406 177.2
[M]+ 322.13119142 175.6
[M]- 322.13228858 175.6
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