CID 71346114

147350-51-4

Structural Information

Molecular Formula
C14H20N2O6
SMILES
CCOC1=C(C=C(C(=C1)NC(=O)OC(C)C)[N+](=O)[O-])OCC
InChI
InChI=1S/C14H20N2O6/c1-5-20-12-7-10(15-14(17)22-9(3)4)11(16(18)19)8-13(12)21-6-2/h7-9H,5-6H2,1-4H3,(H,15,17)
InChIKey
VOQKVAQOSJRKPG-UHFFFAOYSA-N
Compound name
propan-2-yl N-(4,5-diethoxy-2-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

312.13214 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.139416 170.2
[M+Na]+ 335.121358 175.3
[M-H]- 311.124864 173.8
[M+NH4]+ 330.165963 183.9
[M+K]+ 351.095298 171.2
[M+H-H2O]+ 295.129400 167.4
[M+HCOO]- 357.130341 194.1
[M+CH3COO]- 371.145991 203.5
[M+Na-2H]- 333.106806 173.1
[M]+ 312.13159142 174.4
[M]- 312.13268858 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.