CID 93482888

Ns00061056

Structural Information

Molecular Formula
C19H21NO4
SMILES
CC(C)(C)CN=C(OC1=CC=CC=C1)OC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C19H21NO4/c1-19(2,3)14-20-17(22-15-10-6-4-7-11-15)24-18(21)23-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKey
WXHXSAPVFKKPKD-UHFFFAOYSA-N
Compound name
[N-(2,2-dimethylpropyl)-C-phenoxycarbonimidoyl] phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.154336 178.7
[M+Na]+ 350.136278 183.2
[M-H]- 326.139784 186.2
[M+NH4]+ 345.180883 192.6
[M+K]+ 366.110218 181.8
[M+H-H2O]+ 310.144320 170.0
[M+HCOO]- 372.145261 201.7
[M+CH3COO]- 386.160911 209.0
[M+Na-2H]- 348.121726 183.4
[M]+ 327.14651142 182.8
[M]- 327.14760858 182.8
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.