CID 3073351

Ethanol, 2,2'-((4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)imino)bis-, monohydrochloride

Structural Information

Molecular Formula
C13H23N5O2
SMILES
CCCC1=NC(=NC(=N1)N(CCO)CCO)NC2CC2
InChI
InChI=1S/C13H23N5O2/c1-2-3-11-15-12(14-10-4-5-10)17-13(16-11)18(6-8-19)7-9-20/h10,19-20H,2-9H2,1H3,(H,14,15,16,17)
InChIKey
FFJRCVWUKCVNBS-UHFFFAOYSA-N
Compound name
2-[[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.18518 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.192456 171.7
[M+Na]+ 304.174398 178.8
[M-H]- 280.177904 173.6
[M+NH4]+ 299.219003 178.0
[M+K]+ 320.148338 173.5
[M+H-H2O]+ 264.182440 162.2
[M+HCOO]- 326.183381 191.8
[M+CH3COO]- 340.199031 207.0
[M+Na-2H]- 302.159846 175.7
[M]+ 281.18463142 175.2
[M]- 281.18572858 175.2
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.