CID 459125

2-morpholino-n-[4-(1-piperidyl)butyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C17H29N5O
SMILES
C1CCN(CC1)CCCCNC2=NC(=NC=C2)N3CCOCC3
InChI
InChI=1S/C17H29N5O/c1-3-9-21(10-4-1)11-5-2-7-18-16-6-8-19-17(20-16)22-12-14-23-15-13-22/h6,8H,1-5,7,9-15H2,(H,18,19,20)
InChIKey
YBOIPGDGXGWAKC-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-(4-piperidin-1-ylbutyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.2372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.24448 180.3
[M+Na]+ 342.22642 180.8
[M-H]- 318.22992 182.2
[M+NH4]+ 337.27102 186.0
[M+K]+ 358.20036 177.0
[M+H-H2O]+ 302.23446 166.8
[M+HCOO]- 364.23540 191.0
[M+CH3COO]- 378.25105 186.2
[M+Na-2H]- 340.21187 183.3
[M]+ 319.23665 172.7
[M]- 319.23775 172.7
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.