CID 60352

Prinomide tromethamine

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CN1C=CC=C1C(=O)C(C#N)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H13N3O2/c1-18-9-5-8-13(18)14(19)12(10-16)15(20)17-11-6-3-2-4-7-11/h2-9,12H,1H3,(H,17,20)
InChIKey
KBQUAIAGRLAZGP-UHFFFAOYSA-N
Compound name
2-cyano-3-(1-methylpyrrol-2-yl)-3-oxo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

203
Patents

267.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 164.2
[M+Na]+ 290.08999 174.2
[M+NH4]+ 285.13459 167.2
[M+K]+ 306.06393 167.4
[M-H]- 266.09349 158.9
[M+Na-2H]- 288.07544 167.4
[M]+ 267.10022 163.0
[M]- 267.10132 163.0
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

patents stripe