CID 3080162

Urea, n,n-dimethyl-n'-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-

Structural Information

Molecular Formula
C13H22N6O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(=O)N(C)C
InChI
InChI=1S/C13H22N6O2/c1-4-5-10-14-11(17-13(20)18(2)3)16-12(15-10)19-6-8-21-9-7-19/h4-9H2,1-3H3,(H,14,15,16,17,20)
InChIKey
YEFBYCDRWIBCPG-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

294.18042 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18770 173.3
[M+Na]+ 317.16964 177.8
[M-H]- 293.17314 175.9
[M+NH4]+ 312.21424 181.6
[M+K]+ 333.14358 176.9
[M+H-H2O]+ 277.17768 161.8
[M+HCOO]- 339.17862 189.5
[M+CH3COO]- 353.19427 209.8
[M+Na-2H]- 315.15509 177.2
[M]+ 294.17987 172.3
[M]- 294.18097 172.3
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