CID 3088936

Sr 45349 a

Structural Information

Molecular Formula
C35H57NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CCCN(C)C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C35H57NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-35(37)38-30-32(25-22-29-36(2)3)34-27-21-24-31-23-19-20-26-33(31)34/h19-21,23-24,26-27,32H,4-18,22,25,28-30H2,1-3H3
InChIKey
ALXFRZPXFLOGMD-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-2-naphthalen-1-ylpentyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.4389 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.44618 247.8
[M+Na]+ 546.42812 244.7
[M-H]- 522.43162 248.8
[M+NH4]+ 541.47272 254.4
[M+K]+ 562.40206 238.7
[M+H-H2O]+ 506.43616 236.3
[M+HCOO]- 568.43710 263.0
[M+CH3COO]- 582.45275 258.9
[M+Na-2H]- 544.41357 241.3
[M]+ 523.43835 256.8
[M]- 523.43945 256.8
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.