CID 175682

2-methyl-2-((2-triphenylenylmethyl)amino)-1,3-propanediol hydrochloride

Structural Information

Molecular Formula
C23H23NO2
SMILES
CC(CO)(CO)NCC1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C23H23NO2/c1-23(14-25,15-26)24-13-16-10-11-21-19-8-3-2-6-17(19)18-7-4-5-9-20(18)22(21)12-16/h2-12,24-26H,13-15H2,1H3
InChIKey
JKWATNMPEICJJM-UHFFFAOYSA-N
Compound name
2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

345.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18016 181.8
[M+Na]+ 368.16210 189.1
[M-H]- 344.16560 185.2
[M+NH4]+ 363.20670 196.5
[M+K]+ 384.13604 182.1
[M+H-H2O]+ 328.17014 173.9
[M+HCOO]- 390.17108 198.8
[M+CH3COO]- 404.18673 191.3
[M+Na-2H]- 366.14755 191.2
[M]+ 345.17233 183.2
[M]- 345.17343 183.2
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