CID 3039389

Brn 2017683

Structural Information

Molecular Formula
C22H29NO3S
SMILES
CC1=C(C=CC(=C1)C(C)(C)C)SN(C)C(=O)OC2=CC=CC=C2OC(C)C
InChI
InChI=1S/C22H29NO3S/c1-15(2)25-18-10-8-9-11-19(18)26-21(24)23(7)27-20-13-12-17(14-16(20)3)22(4,5)6/h8-15H,1-7H3
InChIKey
RNLNWHYWQVXEPV-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-(4-tert-butyl-2-methylphenyl)sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.18683 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.19411 194.7
[M+Na]+ 410.17605 199.7
[M-H]- 386.17955 202.5
[M+NH4]+ 405.22065 207.4
[M+K]+ 426.14999 197.3
[M+H-H2O]+ 370.18409 186.2
[M+HCOO]- 432.18503 209.9
[M+CH3COO]- 446.20068 226.6
[M+Na-2H]- 408.16150 192.7
[M]+ 387.18628 202.2
[M]- 387.18738 202.2
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.