CID 88962

Valeramide, 2-propyl-n-(2-pyrimidinyl)-

Structural Information

Molecular Formula
C12H19N3O
SMILES
CCCC(CCC)C(=O)NC1=NC=CC=N1
InChI
InChI=1S/C12H19N3O/c1-3-6-10(7-4-2)11(16)15-12-13-8-5-9-14-12/h5,8-10H,3-4,6-7H2,1-2H3,(H,13,14,15,16)
InChIKey
AQAWTFCMNPKTDA-UHFFFAOYSA-N
Compound name
2-propyl-N-pyrimidin-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.15282 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 153.5
[M+Na]+ 244.14204 158.6
[M-H]- 220.14554 153.7
[M+NH4]+ 239.18664 168.7
[M+K]+ 260.11598 156.5
[M+H-H2O]+ 204.15008 145.0
[M+HCOO]- 266.15102 174.0
[M+CH3COO]- 280.16667 192.7
[M+Na-2H]- 242.12749 158.2
[M]+ 221.15227 154.2
[M]- 221.15337 154.2
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