CID 3055429

Brn 5580714

Structural Information

Molecular Formula
C15H25N5O2
SMILES
CCN1CCCC1CNC(=O)C2=CN=C(N=C2OC(C)C)N
InChI
InChI=1S/C15H25N5O2/c1-4-20-7-5-6-11(20)8-17-13(21)12-9-18-15(16)19-14(12)22-10(2)3/h9-11H,4-8H2,1-3H3,(H,17,21)(H2,16,18,19)
InChIKey
LIFSCRPFGRTEJM-UHFFFAOYSA-N
Compound name
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

307.20084 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20812 174.9
[M+Na]+ 330.19006 179.5
[M-H]- 306.19356 177.0
[M+NH4]+ 325.23466 186.6
[M+K]+ 346.16400 176.8
[M+H-H2O]+ 290.19810 165.0
[M+HCOO]- 352.19904 193.0
[M+CH3COO]- 366.21469 211.1
[M+Na-2H]- 328.17551 173.7
[M]+ 307.20029 173.5
[M]- 307.20139 173.5
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