CID 135443556

Nsc168468

Structural Information

Molecular Formula
C16H12N4O3
SMILES
C1=CC=C2C(=C1)C=CC(=N2)N/N=C/C3=C(C(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H12N4O3/c21-16-12(5-3-7-14(16)20(22)23)10-17-19-15-9-8-11-4-1-2-6-13(11)18-15/h1-10,21H,(H,18,19)/b17-10+
InChIKey
RLGCDBYMJUKHRX-LICLKQGHSA-N
Compound name
2-nitro-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

308.09094 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09822 164.6
[M+Na]+ 331.08016 170.6
[M-H]- 307.08366 171.0
[M+NH4]+ 326.12476 177.0
[M+K]+ 347.05410 161.9
[M+H-H2O]+ 291.08820 159.4
[M+HCOO]- 353.08914 189.9
[M+CH3COO]- 367.10479 203.7
[M+Na-2H]- 329.06561 175.4
[M]+ 308.09039 162.6
[M]- 308.09149 162.6
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