CID 6863419

2-methyl-n'-[(e)-(4-nitrophenyl)methylidene]quinoline-4-carbohydrazide

Structural Information

Molecular Formula
C18H14N4O3
SMILES
CC1=NC2=CC=CC=C2C(=C1)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N4O3/c1-12-10-16(15-4-2-3-5-17(15)20-12)18(23)21-19-11-13-6-8-14(9-7-13)22(24)25/h2-11H,1H3,(H,21,23)/b19-11+
InChIKey
RJPFFSPMWKRWNB-YBFXNURJSA-N
Compound name
2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

334.1066 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11388 174.3
[M+Na]+ 357.09582 179.9
[M-H]- 333.09932 181.8
[M+NH4]+ 352.14042 186.3
[M+K]+ 373.06976 171.6
[M+H-H2O]+ 317.10386 168.6
[M+HCOO]- 379.10480 199.6
[M+CH3COO]- 393.12045 211.4
[M+Na-2H]- 355.08127 183.2
[M]+ 334.10605 173.4
[M]- 334.10715 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.