CID 25099089

Sun13837

Structural Information

Molecular Formula
C21H29N5O2
SMILES
CC1=C(C(=NC(=N1)OCC(=O)N(C)C2CCN(CC2)CC3=CC=CC=C3)C)N
InChI
InChI=1S/C21H29N5O2/c1-15-20(22)16(2)24-21(23-15)28-14-19(27)25(3)18-9-11-26(12-10-18)13-17-7-5-4-6-8-17/h4-8,18H,9-14,22H2,1-3H3
InChIKey
UFFJZHVXSNLCEE-UHFFFAOYSA-N
Compound name
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-(1-benzylpiperidin-4-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

383.23212 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23940 196.2
[M+Na]+ 406.22134 199.8
[M-H]- 382.22484 201.9
[M+NH4]+ 401.26594 203.0
[M+K]+ 422.19528 195.7
[M+H-H2O]+ 366.22938 183.7
[M+HCOO]- 428.23032 212.6
[M+CH3COO]- 442.24597 229.0
[M+Na-2H]- 404.20679 195.7
[M]+ 383.23157 194.1
[M]- 383.23267 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe