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]+ 370.18016 189.8
[M+Na]+ 392.16210 197.6
[M-H]- 368.16560 193.0
[M+NH4]+ 387.20670 204.8
[M+K]+ 408.13604 190.3
[M+H-H2O]+ 352.17014 180.9
[M+HCOO]- 414.17108 205.3
[M+CH3COO]- 428.18673 198.8
[M+Na-2H]- 390.14755 200.8
[M]+ 369.17233 194.3
[M]- 369.17343 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.