CID 78115

4403-08-1

Structural Information

Molecular Formula
C15H30N6O6
SMILES
C(CO)N(CCO)C1=NC(=NC(=N1)N(CCO)CCO)N(CCO)CCO
InChI
InChI=1S/C15H30N6O6/c22-7-1-19(2-8-23)13-16-14(20(3-9-24)4-10-25)18-15(17-13)21(5-11-26)6-12-27/h22-27H,1-12H2
InChIKey
XGXKWMBOZAECME-UHFFFAOYSA-N
Compound name
2-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

390.2227 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22998 187.6
[M+Na]+ 413.21192 188.4
[M-H]- 389.21542 182.7
[M+NH4]+ 408.25652 191.7
[M+K]+ 429.18586 188.0
[M+H-H2O]+ 373.21996 177.2
[M+HCOO]- 435.22090 203.2
[M+CH3COO]- 449.23655 224.0
[M+Na-2H]- 411.19737 188.9
[M]+ 390.22215 190.7
[M]- 390.22325 190.7
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