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]+ 248.15059 178.9
[M+Na]+ 270.13253 185.6
[M-H]- 246.13603 184.1
[M+NH4]+ 265.17713 174.9
[M+K]+ 286.10647 182.7
[M+H-H2O]+ 230.14057 165.5
[M+HCOO]- 292.14151 194.0
[M+CH3COO]- 306.15716 185.1
[M+Na-2H]- 268.11798 179.5
[M]+ 247.14276 186.5
[M]- 247.14386 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.