CID 376288

Nsc657002

Structural Information

Molecular Formula
C20H21NO6
SMILES
CCOC1=C(C=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-])OCC
InChI
InChI=1S/C20H21NO6/c1-4-25-16-10-9-14(12-18(16)26-5-2)19-15(21(22)23)11-13-7-6-8-17(24-3)20(13)27-19/h6-12,19H,4-5H2,1-3H3
InChIKey
BCJAUPOXJFTTNG-UHFFFAOYSA-N
Compound name
2-(3,4-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1369 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14418 188.0
[M+Na]+ 394.12612 194.1
[M-H]- 370.12962 196.2
[M+NH4]+ 389.17072 198.9
[M+K]+ 410.10006 188.6
[M+H-H2O]+ 354.13416 183.0
[M+HCOO]- 416.13510 209.0
[M+CH3COO]- 430.15075 214.1
[M+Na-2H]- 392.11157 193.7
[M]+ 371.13635 193.1
[M]- 371.13745 193.1
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.