CID 55250

84384-96-3

Structural Information

Molecular Formula
C19H24N2O4S
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)N(C)S(=O)OCCCC2=CN=CC=C2
InChI
InChI=1S/C19H24N2O4S/c1-15(2)17-9-4-10-18(13-17)25-19(22)21(3)26(23)24-12-6-8-16-7-5-11-20-14-16/h4-5,7,9-11,13-15H,6,8,12H2,1-3H3
InChIKey
NVOQVVNJGWVVKC-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-methyl-N-(3-pyridin-3-ylpropoxysulfinyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.1457 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15298 189.0
[M+Na]+ 399.13492 192.9
[M-H]- 375.13842 194.9
[M+NH4]+ 394.17952 199.8
[M+K]+ 415.10886 190.8
[M+H-H2O]+ 359.14296 179.2
[M+HCOO]- 421.14390 204.8
[M+CH3COO]- 435.15955 220.4
[M+Na-2H]- 397.12037 188.0
[M]+ 376.14515 195.7
[M]- 376.14625 195.7
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