CID 103928

51658-22-1

Structural Information

Molecular Formula
C21H39N3O7
SMILES
C1=C(C=C(C(=C1CN(CCO)CCO)O)CN(CCO)CCO)CN(CCO)CCO
InChI
InChI=1S/C21H39N3O7/c25-7-1-22(2-8-26)15-18-13-19(16-23(3-9-27)4-10-28)21(31)20(14-18)17-24(5-11-29)6-12-30/h13-14,25-31H,1-12,15-17H2
InChIKey
XWRUCIJUEHCQDD-UHFFFAOYSA-N
Compound name
2,4,6-tris[[bis(2-hydroxyethyl)amino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

445.2788 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.286076 206.0
[M+Na]+ 468.268018 204.4
[M-H]- 444.271524 202.5
[M+NH4]+ 463.312623 211.1
[M+K]+ 484.241958 203.5
[M+H-H2O]+ 428.276060 196.7
[M+HCOO]- 490.277001 221.8
[M+CH3COO]- 504.292651 234.9
[M+Na-2H]- 466.253466 202.2
[M]+ 445.27825142 209.5
[M]- 445.27934858 209.5
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