CID 3080164

Acetamide, n-(2-(acetyloxy)ethyl)-n-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-

Structural Information

Molecular Formula
C16H25N5O4
SMILES
CCCC1=NC(=NC(=N1)N(CCOC(=O)C)C(=O)C)N2CCOCC2
InChI
InChI=1S/C16H25N5O4/c1-4-5-14-17-15(20-6-9-24-10-7-20)19-16(18-14)21(12(2)22)8-11-25-13(3)23/h4-11H2,1-3H3
InChIKey
IZWZQJUDLYIMLI-UHFFFAOYSA-N
Compound name
2-[acetyl-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

351.19064 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19792 185.5
[M+Na]+ 374.17986 189.2
[M-H]- 350.18336 187.6
[M+NH4]+ 369.22446 191.4
[M+K]+ 390.15380 188.8
[M+H-H2O]+ 334.18790 173.7
[M+HCOO]- 396.18884 199.2
[M+CH3COO]- 410.20449 218.0
[M+Na-2H]- 372.16531 186.5
[M]+ 351.19009 187.7
[M]- 351.19119 187.7
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

patents stripe