CID 3080133

1-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-2-pyrrolidinemethanol monohydrochloride

Structural Information

Molecular Formula
C15H25N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCCC2CO)N3CCOCC3
InChI
InChI=1S/C15H25N5O2/c1-2-4-13-16-14(19-7-9-22-10-8-19)18-15(17-13)20-6-3-5-12(20)11-21/h12,21H,2-11H2,1H3
InChIKey
QIPWNTHMCDQYGN-UHFFFAOYSA-N
Compound name
[1-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.20084 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20812 177.2
[M+Na]+ 330.19006 181.7
[M-H]- 306.19356 178.3
[M+NH4]+ 325.23466 184.3
[M+K]+ 346.16400 178.1
[M+H-H2O]+ 290.19810 165.2
[M+HCOO]- 352.19904 187.2
[M+CH3COO]- 366.21469 184.5
[M+Na-2H]- 328.17551 176.3
[M]+ 307.20029 172.8
[M]- 307.20139 172.8
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.