CID 6870477

N'-{[5-(4-bromophenyl)-2-furyl]methylene}-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C18H12BrN3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N/N=C/C2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H12BrN3O4/c19-14-6-4-12(5-7-14)17-9-8-16(26-17)11-20-21-18(23)13-2-1-3-15(10-13)22(24)25/h1-11H,(H,21,23)/b20-11+
InChIKey
SJUHAUXZJLWQAM-RGVLZGJSSA-N
Compound name
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

413.00113 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.00841 191.0
[M+Na]+ 435.99035 198.5
[M-H]- 411.99385 204.6
[M+NH4]+ 431.03495 203.9
[M+K]+ 451.96429 184.1
[M+H-H2O]+ 395.99839 191.0
[M+HCOO]- 457.99933 215.9
[M+CH3COO]- 472.01498 217.1
[M+Na-2H]- 433.97580 197.0
[M]+ 413.00058 209.7
[M]- 413.00168 209.7
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

patents stripe