CID 20231454

Dihexadecylcarbamyl chloride

Structural Information

Molecular Formula
C33H66ClNO
SMILES
CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)Cl
InChI
InChI=1S/C33H66ClNO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(33(34)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey
LJRRLTAGSAPCDC-UHFFFAOYSA-N
Compound name
N,N-dihexadecylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

527.4833 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.49058 252.4
[M+Na]+ 550.47252 266.5
[M-H]- 526.47602 242.9
[M+NH4]+ 545.51712 258.6
[M+K]+ 566.44646 240.8
[M+H-H2O]+ 510.48056 243.1
[M+HCOO]- 572.48150 262.9
[M+CH3COO]- 586.49715 259.7
[M+Na-2H]- 548.45797 242.9
[M]+ 527.48275 259.3
[M]- 527.48385 259.3
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

patents stripe