CID 3055431

72418-34-9

Structural Information

Molecular Formula
C20H27N5O2
SMILES
CN(C)C1=NC=C(C(=N1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H27N5O2/c1-24(2)20-21-13-17(19(23-20)27-3)18(26)22-16-9-11-25(12-10-16)14-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H,22,26)
InChIKey
DJAPWPSBMJUJNT-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-2-(dimethylamino)-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.21646 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.22374 190.5
[M+Na]+ 392.20568 193.5
[M-H]- 368.20918 196.4
[M+NH4]+ 387.25028 197.8
[M+K]+ 408.17962 189.9
[M+H-H2O]+ 352.21372 177.8
[M+HCOO]- 414.21466 207.8
[M+CH3COO]- 428.23031 225.3
[M+Na-2H]- 390.19113 192.3
[M]+ 369.21591 188.6
[M]- 369.21701 188.6
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.