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]+ 280.17681 179.6
[M+Na]+ 302.15875 185.7
[M-H]- 278.16225 184.0
[M+NH4]+ 297.20335 180.4
[M+K]+ 318.13269 180.3
[M+H-H2O]+ 262.16679 171.5
[M+HCOO]- 324.16773 197.5
[M+CH3COO]- 338.18338 212.2
[M+Na-2H]- 300.14420 181.4
[M]+ 279.16898 182.9
[M]- 279.17008 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.