CID 3043589

Thiocyanic acid, p-lauramidophenyl ester

Structural Information

Molecular Formula
C19H28N2OS
SMILES
CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)SC#N
InChI
InChI=1S/C19H28N2OS/c1-2-3-4-5-6-7-8-9-10-11-19(22)21-17-12-14-18(15-13-17)23-16-20/h12-15H,2-11H2,1H3,(H,21,22)
InChIKey
DWAONIRHNBQKQO-UHFFFAOYSA-N
Compound name
[4-(dodecanoylamino)phenyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19223 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19951 177.5
[M+Na]+ 355.18145 186.5
[M+NH4]+ 350.22605 181.1
[M+K]+ 371.15539 173.9
[M-H]- 331.18495 172.3
[M+Na-2H]- 353.16690 179.1
[M]+ 332.19168 176.8
[M]- 332.19278 176.8
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.