CID 386343

Nsc678126

Structural Information

Molecular Formula
C14H12N4O3
SMILES
COC1=NN(C2=C1C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=N3
InChI
InChI=1S/C14H12N4O3/c1-21-14-12-8-11(18(19)20)5-6-13(12)17(16-14)9-10-4-2-3-7-15-10/h2-8H,9H2,1H3
InChIKey
GDAVZEGSTKQDTH-UHFFFAOYSA-N
Compound name
3-methoxy-5-nitro-1-(pyridin-2-ylmethyl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09094 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09822 161.5
[M+Na]+ 307.08016 170.7
[M-H]- 283.08366 166.3
[M+NH4]+ 302.12476 175.0
[M+K]+ 323.05410 162.5
[M+H-H2O]+ 267.08820 156.2
[M+HCOO]- 329.08914 184.8
[M+CH3COO]- 343.10479 194.6
[M+Na-2H]- 305.06561 170.6
[M]+ 284.09039 163.8
[M]- 284.09149 163.8
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.