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]+ 342.192456 180.6
[M+Na]+ 364.174398 185.3
[M-H]- 340.177904 185.7
[M+NH4]+ 359.219003 190.3
[M+K]+ 380.148338 180.6
[M+H-H2O]+ 324.182440 169.3
[M+HCOO]- 386.183381 199.9
[M+CH3COO]- 400.199031 215.0
[M+Na-2H]- 362.159846 181.5
[M]+ 341.18463142 178.2
[M]- 341.18572858 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.