CID 3055423

72412-49-8

Structural Information

Molecular Formula
C15H25N5O2
SMILES
CCCCN1CCCC1CNC(=O)C2=CN=C(N=C2OC)N
InChI
InChI=1S/C15H25N5O2/c1-3-4-7-20-8-5-6-11(20)9-17-13(21)12-10-18-15(16)19-14(12)22-2/h10-11H,3-9H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKey
FKHFTQVOXAAYCB-UHFFFAOYSA-N
Compound name
2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.20084 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20812 174.5
[M+Na]+ 330.19006 182.5
[M+NH4]+ 325.23466 179.2
[M+K]+ 346.16400 179.7
[M-H]- 306.19356 175.6
[M+Na-2H]- 328.17551 177.7
[M]+ 307.20029 175.3
[M]- 307.20139 175.3
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.