CID 104222

Laurimin

Structural Information

Molecular Formula
C24H43N2O
SMILES
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-15-19-24(27)25-20-16-21-26(2,3)22-23-17-13-12-14-18-23/h12-14,17-18H,4-11,15-16,19-22H2,1-3H3/p+1
InChIKey
HZGSAOOKKTWOMX-UHFFFAOYSA-O
Compound name
benzyl-[3-(dodecanoylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

375.33752 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.34480 201.5
[M+Na]+ 398.32674 201.5
[M-H]- 374.33024 204.0
[M+NH4]+ 393.37134 213.5
[M+K]+ 414.30068 191.8
[M+H-H2O]+ 358.33478 195.4
[M+HCOO]- 420.33572 221.9
[M+CH3COO]- 434.35137 223.7
[M+Na-2H]- 396.31219 204.6
[M]+ 375.33697 205.0
[M]- 375.33807 205.0
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