CID 791637

Id-8

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=C(C=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C16H14N2O4/c1-10-16(18(20)21)14-8-5-12(19)9-15(14)17(10)11-3-6-13(22-2)7-4-11/h3-9,19H,1-2H3
InChIKey
VVZNWYXIOADGSW-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

680
Patents

298.09537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 165.7
[M+Na]+ 321.08459 175.3
[M-H]- 297.08809 172.4
[M+NH4]+ 316.12919 181.3
[M+K]+ 337.05853 167.0
[M+H-H2O]+ 281.09263 162.6
[M+HCOO]- 343.09357 189.7
[M+CH3COO]- 357.10922 196.8
[M+Na-2H]- 319.07004 171.9
[M]+ 298.09482 168.4
[M]- 298.09592 168.4
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.