CID 3055418

72412-43-2

Structural Information

Molecular Formula
C18H23N5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)N
InChI
InChI=1S/C18H23N5O2/c1-25-17-15(11-20-18(19)22-17)16(24)21-14-7-9-23(10-8-14)12-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,21,24)(H2,19,20,22)
InChIKey
NVGUWRCYEMNCDQ-UHFFFAOYSA-N
Compound name
2-amino-N-(1-benzylpiperidin-4-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]+ 342.192456 182.2
[M+Na]+ 364.174398 186.1
[M-H]- 340.177904 186.6
[M+NH4]+ 359.219003 189.8
[M+K]+ 380.148338 181.2
[M+H-H2O]+ 324.182440 170.2
[M+HCOO]- 386.183381 199.1
[M+CH3COO]- 400.199031 215.7
[M+Na-2H]- 362.159846 184.7
[M]+ 341.18463142 177.5
[M]- 341.18572858 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.