CID 3069103

Brn 0887752

Structural Information

Molecular Formula
C12H19N5O2
SMILES
CN1CCCC1CNC(=O)C2=CN=C(N=C2OC)N
InChI
InChI=1S/C12H19N5O2/c1-17-5-3-4-8(17)6-14-10(18)9-7-15-12(13)16-11(9)19-2/h7-8H,3-6H2,1-2H3,(H,14,18)(H2,13,15,16)
InChIKey
TZGCFMUPAJUYLJ-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.15387 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16115 161.4
[M+Na]+ 288.14309 167.7
[M-H]- 264.14659 163.9
[M+NH4]+ 283.18769 175.0
[M+K]+ 304.11703 165.0
[M+H-H2O]+ 248.15113 151.9
[M+HCOO]- 310.15207 181.5
[M+CH3COO]- 324.16772 201.2
[M+Na-2H]- 286.12854 162.8
[M]+ 265.15332 159.5
[M]- 265.15442 159.5
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