CID 11988315

473584-10-0

Structural Information

Molecular Formula
C16H25NO5S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)OCCNC(=O)OC(C)(C)C)C
InChI
InChI=1S/C16H25NO5S/c1-11-9-12(2)14(13(3)10-11)23(19,20)21-8-7-17-15(18)22-16(4,5)6/h9-10H,7-8H2,1-6H3,(H,17,18)
InChIKey
PBZZGDPOFJLGAA-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2,4,6-trimethylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

343.14536 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15264 182.1
[M+Na]+ 366.13458 190.4
[M+NH4]+ 361.17918 186.6
[M+K]+ 382.10852 185.3
[M-H]- 342.13808 180.9
[M+Na-2H]- 364.12003 184.3
[M]+ 343.14481 183.2
[M]- 343.14591 183.2
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

patents stripe