CID 3016265

N,n-dioctadecylcarbamoyl chloride

Structural Information

Molecular Formula
C37H74ClNO
SMILES
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)Cl
InChI
InChI=1S/C37H74ClNO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37(38)40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey
GSTUJEWGYSLULH-UHFFFAOYSA-N
Compound name
N,N-dioctadecylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

583.5459 Da
Monoisotopic Mass

18.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.55318 271.0
[M+Na]+ 606.53512 279.4
[M-H]- 582.53862 255.1
[M+NH4]+ 601.57972 272.1
[M+K]+ 622.50906 281.1
[M+H-H2O]+ 566.54316 271.2
[M+HCOO]- 628.54410 275.0
[M+CH3COO]- 642.55975 270.9
[M+Na-2H]- 604.52057 255.0
[M]+ 583.54535 272.6
[M]- 583.54645 272.6
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