CID 3859702

3-bromo-n'-(5-nitro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)benzohydrazide

Structural Information

Molecular Formula
C15H9BrN4O4
SMILES
C1=CC(=CC(=C1)Br)C(=O)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C15H9BrN4O4/c16-9-3-1-2-8(6-9)14(21)19-18-13-11-7-10(20(23)24)4-5-12(11)17-15(13)22/h1-7,17,22H
InChIKey
ZJXMJWGESDXRGD-UHFFFAOYSA-N
Compound name
3-bromo-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.9807 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.98798 176.3
[M+Na]+ 410.96992 186.1
[M-H]- 386.97342 185.8
[M+NH4]+ 406.01452 191.1
[M+K]+ 426.94386 170.4
[M+H-H2O]+ 370.97796 177.0
[M+HCOO]- 432.97890 200.4
[M+CH3COO]- 446.99455 211.1
[M+Na-2H]- 408.95537 184.7
[M]+ 387.98015 195.1
[M]- 387.98125 195.1
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.