CID 3073368

Ethanol, 2,2'-((4-(cyclopropyl-6-(cyclorpopylamino)-1,3,5-triazin-2-yl)imino)bis-

Structural Information

Molecular Formula
C13H21N5O2
SMILES
C1CC1C2=NC(=NC(=N2)N(CCO)CCO)NC3CC3
InChI
InChI=1S/C13H21N5O2/c19-7-5-18(6-8-20)13-16-11(9-1-2-9)15-12(17-13)14-10-3-4-10/h9-10,19-20H,1-8H2,(H,14,15,16,17)
InChIKey
IXEFVJANBSCXDS-UHFFFAOYSA-N
Compound name
2-[[4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16953 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.176806 179.6
[M+Na]+ 302.158748 185.7
[M-H]- 278.162254 184.0
[M+NH4]+ 297.203353 180.4
[M+K]+ 318.132688 180.3
[M+H-H2O]+ 262.166790 171.5
[M+HCOO]- 324.167731 197.5
[M+CH3COO]- 338.183381 212.2
[M+Na-2H]- 300.144196 181.4
[M]+ 279.16898142 182.9
[M]- 279.17007858 182.9
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.