CID 91665612

1345681-74-4

Structural Information

Molecular Formula
C15H14N2O8
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C15H14N2O8/c18-13-5-6-14(19)16(13)7-8-23-9-10-24-15(20)25-12-3-1-11(2-4-12)17(21)22/h1-6H,7-10H2
InChIKey
FCTHMHZJVBYEGY-UHFFFAOYSA-N
Compound name
2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl (4-nitrophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

350.075 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.082276 175.4
[M+Na]+ 373.064218 180.8
[M-H]- 349.067724 181.0
[M+NH4]+ 368.108823 187.3
[M+K]+ 389.038158 175.7
[M+H-H2O]+ 333.072260 171.4
[M+HCOO]- 395.073201 199.0
[M+CH3COO]- 409.088851 202.0
[M+Na-2H]- 371.049666 179.1
[M]+ 350.07445142 179.6
[M]- 350.07554858 179.6
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