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 183.1
[M+Na]+ 355.18145 189.0
[M-H]- 331.18495 185.4
[M+NH4]+ 350.22605 196.0
[M+K]+ 371.15539 183.8
[M+H-H2O]+ 315.18949 169.0
[M+HCOO]- 377.19043 196.4
[M+CH3COO]- 391.20608 222.4
[M+Na-2H]- 353.16690 181.8
[M]+ 332.19168 182.8
[M]- 332.19278 182.8
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.