CID 3073369

3-azetidinol, 1-(4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl)-

Structural Information

Molecular Formula
C12H17N5O
SMILES
C1CC1C2=NC(=NC(=N2)N3CC(C3)O)NC4CC4
InChI
InChI=1S/C12H17N5O/c18-9-5-17(6-9)12-15-10(7-1-2-7)14-11(16-12)13-8-3-4-8/h7-9,18H,1-6H2,(H,13,14,15,16)
InChIKey
SNKWGWNGFDFNOU-UHFFFAOYSA-N
Compound name
1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14331 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.150586 178.9
[M+Na]+ 270.132528 185.6
[M-H]- 246.136034 184.1
[M+NH4]+ 265.177133 174.9
[M+K]+ 286.106468 182.7
[M+H-H2O]+ 230.140570 165.5
[M+HCOO]- 292.141511 194.0
[M+CH3COO]- 306.157161 185.1
[M+Na-2H]- 268.117976 179.5
[M]+ 247.14276142 186.5
[M]- 247.14385858 186.5
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.