CID 3055428

72418-31-6

Structural Information

Molecular Formula
C15H25N5O2
SMILES
CCCOC1=NC(=NC=C1C(=O)NCC2CCCN2CC)N
InChI
InChI=1S/C15H25N5O2/c1-3-8-22-14-12(10-18-15(16)19-14)13(21)17-9-11-6-5-7-20(11)4-2/h10-11H,3-9H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKey
QBVKSPHVNUWFAT-UHFFFAOYSA-N
Compound name
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 174.4
[M+Na]+ 330.19006 179.2
[M-H]- 306.19356 176.3
[M+NH4]+ 325.23466 186.2
[M+K]+ 346.16400 176.0
[M+H-H2O]+ 290.19810 164.3
[M+HCOO]- 352.19904 193.4
[M+CH3COO]- 366.21469 210.2
[M+Na-2H]- 328.17551 174.3
[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