CID 206727

28611-06-5

Structural Information

Molecular Formula
C17H15N3O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2
InChI
InChI=1S/C17H15N3O6/c1-24-14-7-10(8-15(25-2)16(14)26-3)17(21)19-13-5-4-12(20(22)23)6-11(13)9-18-19/h4-9H,1-3H3
InChIKey
OKJNWAUJIAZUNF-UHFFFAOYSA-N
Compound name
(5-nitroindazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0961 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10338 179.4
[M+Na]+ 380.08532 188.1
[M-H]- 356.08882 186.0
[M+NH4]+ 375.12992 191.3
[M+K]+ 396.05926 181.6
[M+H-H2O]+ 340.09336 174.6
[M+HCOO]- 402.09430 202.5
[M+CH3COO]- 416.10995 208.5
[M+Na-2H]- 378.07077 185.0
[M]+ 357.09555 185.7
[M]- 357.09665 185.7
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.