CID 197297

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

Structural Information

Molecular Formula
C25H23NO2
SMILES
CC(CO)(CO)NCC1=C2C3=CC=CC4=C3C(=CC=C4)C5=CC=CC(=C52)C=C1
InChI
InChI=1S/C25H23NO2/c1-25(14-27,15-28)26-13-18-12-11-17-7-3-9-20-19-8-2-5-16-6-4-10-21(22(16)19)24(18)23(17)20/h2-12,26-28H,13-15H2,1H3
InChIKey
BGFNSHCRKOPVTP-UHFFFAOYSA-N
Compound name
2-methyl-2-(perylen-1-ylmethylamino)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.180156 189.8
[M+Na]+ 392.162098 197.6
[M-H]- 368.165604 193.0
[M+NH4]+ 387.206703 204.8
[M+K]+ 408.136038 190.3
[M+H-H2O]+ 352.170140 180.9
[M+HCOO]- 414.171081 205.3
[M+CH3COO]- 428.186731 198.8
[M+Na-2H]- 390.147546 200.8
[M]+ 369.17233142 194.3
[M]- 369.17342858 194.3
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.