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

4
Patents

221.15282 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.160096 153.5
[M+Na]+ 244.142038 158.6
[M-H]- 220.145544 153.7
[M+NH4]+ 239.186643 168.7
[M+K]+ 260.115978 156.5
[M+H-H2O]+ 204.150080 145.0
[M+HCOO]- 266.151021 174.0
[M+CH3COO]- 280.166671 192.7
[M+Na-2H]- 242.127486 158.2
[M]+ 221.15227142 154.2
[M]- 221.15336858 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