CID 102533924

1248551-49-6

Structural Information

Molecular Formula
C10H14ClN3O2
SMILES
CCOC(=O)C1=CN=C(N=C1CCl)N(C)C
InChI
InChI=1S/C10H14ClN3O2/c1-4-16-9(15)7-6-12-10(14(2)3)13-8(7)5-11/h6H,4-5H2,1-3H3
InChIKey
AAIQFFVNNPEBPQ-UHFFFAOYSA-N
Compound name
ethyl 4-(chloromethyl)-2-(dimethylamino)pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.07745 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08473 151.3
[M+Na]+ 266.06667 160.2
[M-H]- 242.07017 153.8
[M+NH4]+ 261.11127 167.7
[M+K]+ 282.04061 158.1
[M+H-H2O]+ 226.07471 143.9
[M+HCOO]- 288.07565 169.5
[M+CH3COO]- 302.09130 197.4
[M+Na-2H]- 264.05212 155.7
[M]+ 243.07690 157.3
[M]- 243.07800 157.3
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.