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]+ 313.13942 170.2
[M+Na]+ 335.12136 175.3
[M-H]- 311.12486 173.8
[M+NH4]+ 330.16596 183.9
[M+K]+ 351.09530 171.2
[M+H-H2O]+ 295.12940 167.4
[M+HCOO]- 357.13034 194.1
[M+CH3COO]- 371.14599 203.5
[M+Na-2H]- 333.10681 173.1
[M]+ 312.13159 174.4
[M]- 312.13269 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.