CID 3073373

148312-49-6

Structural Information

Molecular Formula
C12H15N5O
SMILES
C1CC1C2=NC(=NC(=N2)N3CC(=O)C3)NC4CC4
InChI
InChI=1S/C12H15N5O/c18-9-5-17(6-9)12-15-10(7-1-2-7)14-11(16-12)13-8-3-4-8/h7-8H,1-6H2,(H,13,14,15,16)
InChIKey
KTDIVPQKCJMTIJ-UHFFFAOYSA-N
Compound name
1-[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]azetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12766 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.134936 180.8
[M+Na]+ 268.116878 188.1
[M-H]- 244.120384 187.1
[M+NH4]+ 263.161483 177.4
[M+K]+ 284.090818 185.4
[M+H-H2O]+ 228.124920 167.1
[M+HCOO]- 290.125861 197.1
[M+CH3COO]- 304.141511 187.5
[M+Na-2H]- 266.102326 181.5
[M]+ 245.12711142 189.2
[M]- 245.12820858 189.2
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.