CID 197295

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

Structural Information

Molecular Formula
C23H23NO2
SMILES
CC(CO)(CO)NCC1=C2C3=CC=CC=C3C4=CC=CC=C4C2=CC=C1
InChI
InChI=1S/C23H23NO2/c1-23(14-25,15-26)24-13-16-7-6-12-21-19-9-3-2-8-17(19)18-10-4-5-11-20(18)22(16)21/h2-12,24-26H,13-15H2,1H3
InChIKey
UFFJMFBVKJUAKN-UHFFFAOYSA-N
Compound name
2-methyl-2-(triphenylen-1-ylmethylamino)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

345.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.180156 181.8
[M+Na]+ 368.162098 189.1
[M-H]- 344.165604 185.2
[M+NH4]+ 363.206703 196.5
[M+K]+ 384.136038 182.1
[M+H-H2O]+ 328.170140 173.9
[M+HCOO]- 390.171081 198.8
[M+CH3COO]- 404.186731 191.3
[M+Na-2H]- 366.147546 191.2
[M]+ 345.17233142 183.2
[M]- 345.17342858 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