CID 135424354

Ethirimol

Structural Information

Molecular Formula
C11H19N3O
SMILES
CCCCC1=C(N=C(NC1=O)NCC)C
InChI
InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)
InChIKey
BBXXLROWFHWFQY-UHFFFAOYSA-N
Compound name
5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

23018
Patents

209.15282 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.16010 149.1
[M+Na]+ 232.14204 157.5
[M-H]- 208.14554 149.0
[M+NH4]+ 227.18664 165.2
[M+K]+ 248.11598 153.7
[M+H-H2O]+ 192.15008 141.7
[M+HCOO]- 254.15102 170.3
[M+CH3COO]- 268.16667 189.7
[M+Na-2H]- 230.12749 153.9
[M]+ 209.15227 150.1
[M]- 209.15337 150.1
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

No patent data available for this compound.