CID 58339

O-trityldibutylaminoethanol hydrochloride

Structural Information

Molecular Formula
C29H37NO
SMILES
CCCCN(CCCC)CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C29H37NO/c1-3-5-22-30(23-6-4-2)24-25-31-29(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21H,3-6,22-25H2,1-2H3
InChIKey
HHRVRGFLUTVPGB-UHFFFAOYSA-N
Compound name
N-butyl-N-(2-trityloxyethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.2875 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.29478 209.2
[M+Na]+ 438.27672 209.9
[M-H]- 414.28022 217.5
[M+NH4]+ 433.32132 218.5
[M+K]+ 454.25066 204.2
[M+H-H2O]+ 398.28476 197.6
[M+HCOO]- 460.28570 229.5
[M+CH3COO]- 474.30135 232.9
[M+Na-2H]- 436.26217 211.7
[M]+ 415.28695 211.7
[M]- 415.28805 211.7
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.