CID 3080163

127375-13-7

Structural Information

Molecular Formula
C13H22N6O3
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NCCOC(=O)N
InChI
InChI=1S/C13H22N6O3/c1-2-3-10-16-12(15-4-7-22-11(14)20)18-13(17-10)19-5-8-21-9-6-19/h2-9H2,1H3,(H2,14,20)(H,15,16,17,18)
InChIKey
IPFGANKJVCHCJU-UHFFFAOYSA-N
Compound name
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

310.17532 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18260 175.0
[M+Na]+ 333.16454 179.1
[M-H]- 309.16804 175.6
[M+NH4]+ 328.20914 181.6
[M+K]+ 349.13848 177.1
[M+H-H2O]+ 293.17258 163.4
[M+HCOO]- 355.17352 190.3
[M+CH3COO]- 369.18917 208.9
[M+Na-2H]- 331.14999 178.7
[M]+ 310.17477 173.3
[M]- 310.17587 173.3
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