CID 3069112

84332-21-8

Structural Information

Molecular Formula
C18H23N5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2CCCN(C2)CC3=CC=CC=C3)N
InChI
InChI=1S/C18H23N5O2/c1-25-17-15(10-20-18(19)22-17)16(24)21-14-8-5-9-23(12-14)11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11-12H2,1H3,(H,21,24)(H2,19,20,22)
InChIKey
YRRYUMIVLYKMPM-UHFFFAOYSA-N
Compound name
2-amino-N-(1-benzylpiperidin-3-yl)-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 182.2
[M+Na]+ 364.17440 186.1
[M-H]- 340.17790 186.6
[M+NH4]+ 359.21900 189.8
[M+K]+ 380.14834 181.2
[M+H-H2O]+ 324.18244 170.2
[M+HCOO]- 386.18338 199.1
[M+CH3COO]- 400.19903 215.7
[M+Na-2H]- 362.15985 184.7
[M]+ 341.18463 177.5
[M]- 341.18573 177.5
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

No patent data available for this compound.