CID 135459616

4,6-dimorpholin-4-yl-1,3,5-triazin-2-ol

Structural Information

Molecular Formula
C11H17N5O3
SMILES
C1COCCN1C2=NC(=NC(=O)N2)N3CCOCC3
InChI
InChI=1S/C11H17N5O3/c17-11-13-9(15-1-5-18-6-2-15)12-10(14-11)16-3-7-19-8-4-16/h1-8H2,(H,12,13,14,17)
InChIKey
ITWXPXDYRAKSPM-UHFFFAOYSA-N
Compound name
4,6-dimorpholin-4-yl-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

267.13315 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.140426 165.2
[M+Na]+ 290.122368 170.1
[M-H]- 266.125874 166.6
[M+NH4]+ 285.166973 170.1
[M+K]+ 306.096308 167.8
[M+H-H2O]+ 250.130410 152.7
[M+HCOO]- 312.131351 173.5
[M+CH3COO]- 326.147001 172.8
[M+Na-2H]- 288.107816 169.2
[M]+ 267.13260142 158.1
[M]- 267.13369858 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe