CID 3050190

Brn 2183233

Structural Information

Molecular Formula
C20H32N2O4S
SMILES
CCCCCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC(=C1)C(C)C
InChI
InChI=1S/C20H32N2O4S/c1-6-7-8-9-10-14-25-19(23)21(4)27-22(5)20(24)26-18-13-11-12-17(15-18)16(2)3/h11-13,15-16H,6-10,14H2,1-5H3
InChIKey
NLMPLIZYNWJNMX-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-[heptoxycarbonyl(methyl)amino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.20828 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21556 196.8
[M+Na]+ 419.19750 203.0
[M+NH4]+ 414.24210 201.5
[M+K]+ 435.17144 197.0
[M-H]- 395.20100 197.7
[M+Na-2H]- 417.18295 198.9
[M]+ 396.20773 197.9
[M]- 396.20883 197.9
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.