CID 101420523

1-phenylsulfanyl-n,n-dipropan-2-yl-formamide

Structural Information

Molecular Formula
C38H69NO2
SMILES
CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCCCC
InChI
InChI=1S/C38H69NO2/c1-4-7-10-13-16-18-21-24-27-30-37(40)35-32-39-33-36(34(35)29-26-23-20-15-12-9-6-3)38(41)31-28-25-22-19-17-14-11-8-5-2/h32-34,39H,4-31H2,1-3H3
InChIKey
CWQUIDDWEBMILK-UHFFFAOYSA-N
Compound name
1-(5-dodecanoyl-4-nonyl-1,4-dihydropyridin-3-yl)dodecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.53284 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.54012 261.2
[M+Na]+ 594.52206 266.5
[M+NH4]+ 589.56666 252.7
[M+K]+ 610.49600 255.0
[M-H]- 570.52556 238.6
[M+Na-2H]- 592.50751 258.1
[M]+ 571.53229 261.2
[M]- 571.53339 261.2
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.