CID 3080158

127375-08-0

Structural Information

Molecular Formula
C14H23N5O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCCOC(=O)C
InChI
InChI=1S/C14H23N5O3/c1-3-4-12-16-13(15-5-8-22-11(2)20)18-14(17-12)19-6-9-21-10-7-19/h3-10H2,1-2H3,(H,15,16,17,18)
InChIKey
XMDTZDPCFMRIRT-UHFFFAOYSA-N
Compound name
2-[(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

11
Patents

309.18008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18736 176.1
[M+Na]+ 332.16930 180.5
[M-H]- 308.17280 176.8
[M+NH4]+ 327.21390 183.2
[M+K]+ 348.14324 178.6
[M+H-H2O]+ 292.17734 164.5
[M+HCOO]- 354.17828 190.5
[M+CH3COO]- 368.19393 207.1
[M+Na-2H]- 330.15475 179.6
[M]+ 309.17953 176.3
[M]- 309.18063 176.3
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