CID 5334904

2-(4-bromophenoxy)-n'-(3-nitrobenzylidene)propanohydrazide

Structural Information

Molecular Formula
C16H14BrN3O4
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)[N+](=O)[O-])OC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H14BrN3O4/c1-11(24-15-7-5-13(17)6-8-15)16(21)19-18-10-12-3-2-4-14(9-12)20(22)23/h2-11H,1H3,(H,19,21)/b18-10+
InChIKey
ULUUONRBKYKNEE-VCHYOVAHSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.01678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.02406 180.6
[M+Na]+ 414.00600 187.1
[M-H]- 390.00950 190.1
[M+NH4]+ 409.05060 194.1
[M+K]+ 429.97994 172.4
[M+H-H2O]+ 374.01404 180.6
[M+HCOO]- 436.01498 204.3
[M+CH3COO]- 450.03063 214.7
[M+Na-2H]- 411.99145 186.6
[M]+ 391.01623 198.9
[M]- 391.01733 198.9
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.