CID 211188

P-bis(2-ethanolaminopropyl)benzene dihydrochloride

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1(CN1CCO)C2=CC=C(C=C2)C3(CN3CCO)C
InChI
InChI=1S/C16H24N2O2/c1-15(11-17(15)7-9-19)13-3-5-14(6-4-13)16(2)12-18(16)8-10-20/h3-6,19-20H,7-12H2,1-2H3
InChIKey
MQYPXIRSRIQPQO-UHFFFAOYSA-N
Compound name
2-[2-[4-[1-(2-hydroxyethyl)-2-methylaziridin-2-yl]phenyl]-2-methylaziridin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 178.5
[M+Na]+ 299.17300 186.3
[M-H]- 275.17650 183.5
[M+NH4]+ 294.21760 184.1
[M+K]+ 315.14694 184.0
[M+H-H2O]+ 259.18104 173.3
[M+HCOO]- 321.18198 192.9
[M+CH3COO]- 335.19763 206.4
[M+Na-2H]- 297.15845 180.1
[M]+ 276.18323 183.9
[M]- 276.18433 183.9
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.