CID 3069098

84332-07-0

Structural Information

Molecular Formula
C10H17N5O2
SMILES
CN(C)CCNC(=O)C1=CN=C(N=C1OC)N
InChI
InChI=1S/C10H17N5O2/c1-15(2)5-4-12-8(16)7-6-13-10(11)14-9(7)17-3/h6H,4-5H2,1-3H3,(H,12,16)(H2,11,13,14)
InChIKey
CWBUKVAYTXMQSM-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13823 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14551 154.9
[M+Na]+ 262.12745 161.3
[M-H]- 238.13095 157.1
[M+NH4]+ 257.17205 169.5
[M+K]+ 278.10139 160.7
[M+H-H2O]+ 222.13549 146.0
[M+HCOO]- 284.13643 179.1
[M+CH3COO]- 298.15208 203.4
[M+Na-2H]- 260.11290 159.3
[M]+ 239.13768 156.4
[M]- 239.13878 156.4
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.