CID 3073371

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

Structural Information

Molecular Formula
C12H19N5O
SMILES
CCCC1=NC(=NC(=N1)N2CC(C2)O)NC3CC3
InChI
InChI=1S/C12H19N5O/c1-2-3-10-14-11(13-8-4-5-8)16-12(15-10)17-6-9(18)7-17/h8-9,18H,2-7H2,1H3,(H,13,14,15,16)
InChIKey
URHUGZJUXSWFFQ-UHFFFAOYSA-N
Compound name
1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.15897 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16625 168.8
[M+Na]+ 272.14819 176.6
[M-H]- 248.15169 171.9
[M+NH4]+ 267.19279 169.5
[M+K]+ 288.12213 173.7
[M+H-H2O]+ 232.15623 153.4
[M+HCOO]- 294.15717 185.6
[M+CH3COO]- 308.17282 201.4
[M+Na-2H]- 270.13364 171.8
[M]+ 249.15842 177.6
[M]- 249.15952 177.6
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.