CID 3055422

Brn 5609821

Structural Information

Molecular Formula
C18H23N5O2
SMILES
COC1=NC(=NC=C1C(=O)NCC2CCCN2CC3=CC=CC=C3)N
InChI
InChI=1S/C18H23N5O2/c1-25-17-15(11-21-18(19)22-17)16(24)20-10-14-8-5-9-23(14)12-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,20,24)(H2,19,21,22)
InChIKey
ITUXXWAKOIUTTP-UHFFFAOYSA-N
Compound name
2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.18518 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19246 180.6
[M+Na]+ 364.17440 185.3
[M-H]- 340.17790 185.7
[M+NH4]+ 359.21900 190.3
[M+K]+ 380.14834 180.6
[M+H-H2O]+ 324.18244 169.3
[M+HCOO]- 386.18338 199.9
[M+CH3COO]- 400.19903 215.0
[M+Na-2H]- 362.15985 181.5
[M]+ 341.18463 178.2
[M]- 341.18573 178.2
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.