CID 5278561

Chembl95906

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCOC(=O)/C=C/C1=CC(=CN1C)C(=O)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C19H22N2O3/c1-5-24-18(22)11-10-17-12-15(13-21(17)4)19(23)14-6-8-16(9-7-14)20(2)3/h6-13H,5H2,1-4H3/b11-10+
InChIKey
DQGPPVCGKALUDP-ZHACJKMWSA-N
Compound name
ethyl (E)-3-[4-[4-(dimethylamino)benzoyl]-1-methylpyrrol-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 178.7
[M+Na]+ 349.15228 185.2
[M-H]- 325.15578 185.7
[M+NH4]+ 344.19688 193.6
[M+K]+ 365.12622 182.5
[M+H-H2O]+ 309.16032 170.2
[M+HCOO]- 371.16126 201.7
[M+CH3COO]- 385.17691 215.3
[M+Na-2H]- 347.13773 177.0
[M]+ 326.16251 183.4
[M]- 326.16361 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.