CID 3076346

Brn 4203741

Structural Information

Molecular Formula
C12H24N6O3
SMILES
CNCCN1C(=O)N(C(=O)N(C1=O)CCNC)CCNC
InChI
InChI=1S/C12H24N6O3/c1-13-4-7-16-10(19)17(8-5-14-2)12(21)18(11(16)20)9-6-15-3/h13-15H,4-9H2,1-3H3
InChIKey
VBJHCSKNZBOZFA-UHFFFAOYSA-N
Compound name
1,3,5-tris[2-(methylamino)ethyl]-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.19098 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19826 170.1
[M+Na]+ 323.18020 178.7
[M-H]- 299.18370 170.6
[M+NH4]+ 318.22480 181.3
[M+K]+ 339.15414 175.2
[M+H-H2O]+ 283.18824 160.7
[M+HCOO]- 345.18918 193.7
[M+CH3COO]- 359.20483 214.1
[M+Na-2H]- 321.16565 174.3
[M]+ 300.19043 174.3
[M]- 300.19153 174.3
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

No patent data available for this compound.