CID 60352

Prinomide

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
3
Annotation Hits

6
References

177
Patents

267.10077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.108046 167.2
[M+Na]+ 290.089988 174.9
[M-H]- 266.093494 170.8
[M+NH4]+ 285.134593 181.0
[M+K]+ 306.063928 170.5
[M+H-H2O]+ 250.098030 151.9
[M+HCOO]- 312.098971 185.5
[M+CH3COO]- 326.114621 209.5
[M+Na-2H]- 288.075436 167.5
[M]+ 267.10022142 161.4
[M]- 267.10131858 161.4
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

patents stripe