CID 3033010

Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester

Structural Information

Molecular Formula
C18H20BrNO3S
SMILES
CC1=C(C=CC(=C1)Br)SN(C)C(=O)OC2=CC=CC=C2OC(C)C
InChI
InChI=1S/C18H20BrNO3S/c1-12(2)22-15-7-5-6-8-16(15)23-18(21)20(4)24-17-10-9-14(19)11-13(17)3/h5-12H,1-4H3
InChIKey
PIJVDSRBVOAROJ-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-(4-bromo-2-methylphenyl)sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.03473 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.04201 179.7
[M+Na]+ 432.02395 188.9
[M-H]- 408.02745 189.9
[M+NH4]+ 427.06855 195.2
[M+K]+ 447.99789 178.0
[M+H-H2O]+ 392.03199 177.2
[M+HCOO]- 454.03293 195.4
[M+CH3COO]- 468.04858 222.5
[M+Na-2H]- 430.00940 180.4
[M]+ 409.03418 204.3
[M]- 409.03528 204.3
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.