CID 3069100

84332-09-2

Structural Information

Molecular Formula
C11H19N5O2
SMILES
CN(C)CCCNC(=O)C1=CN=C(N=C1OC)N
InChI
InChI=1S/C11H19N5O2/c1-16(2)6-4-5-13-9(17)8-7-14-11(12)15-10(8)18-3/h7H,4-6H2,1-3H3,(H,13,17)(H2,12,14,15)
InChIKey
BSUXTOILAVNPIM-UHFFFAOYSA-N
Compound name
2-amino-N-[3-(dimethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.15387 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16115 159.3
[M+Na]+ 276.14309 165.3
[M-H]- 252.14659 161.4
[M+NH4]+ 271.18769 173.4
[M+K]+ 292.11703 164.5
[M+H-H2O]+ 236.15113 150.2
[M+HCOO]- 298.15207 183.2
[M+CH3COO]- 312.16772 206.4
[M+Na-2H]- 274.12854 163.3
[M]+ 253.15332 161.2
[M]- 253.15442 161.2
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

No patent data available for this compound.