CID 6322806

2-iodo-n'-(3-nitrobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C14H10IN3O3
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-])I
InChI
InChI=1S/C14H10IN3O3/c15-13-7-2-1-6-12(13)14(19)17-16-9-10-4-3-5-11(8-10)18(20)21/h1-9H,(H,17,19)/b16-9+
InChIKey
PHQGUSILUDAGIB-CXUHLZMHSA-N
Compound name
2-iodo-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.97668 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.98396 182.1
[M+Na]+ 417.96590 180.2
[M-H]- 393.96940 182.5
[M+NH4]+ 413.01050 191.3
[M+K]+ 433.93984 179.0
[M+H-H2O]+ 377.97394 173.6
[M+HCOO]- 439.97488 204.2
[M+CH3COO]- 453.99053 207.9
[M+Na-2H]- 415.95135 176.2
[M]+ 394.97613 177.3
[M]- 394.97723 177.3
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.