CID 9578579

Benzoic acid, p-hydroxy-, (2-bromo-3-(5-nitro-2-furyl)allylidene)hydrazide

Structural Information

Molecular Formula
C14H10BrN3O5
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C(=C/C2=CC=C(O2)[N+](=O)[O-])/Br)O
InChI
InChI=1S/C14H10BrN3O5/c15-10(7-12-5-6-13(23-12)18(21)22)8-16-17-14(20)9-1-3-11(19)4-2-9/h1-8,19H,(H,17,20)/b10-7-,16-8+
InChIKey
AUXBAOAEWMRQNY-AREXIAQWSA-N
Compound name
N-[(E)-[(Z)-2-bromo-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-4-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.98038 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.98766 179.8
[M+Na]+ 401.96960 186.9
[M-H]- 377.97310 189.2
[M+NH4]+ 397.01420 193.6
[M+K]+ 417.94354 172.5
[M+H-H2O]+ 361.97764 180.6
[M+HCOO]- 423.97858 202.9
[M+CH3COO]- 437.99423 207.3
[M+Na-2H]- 399.95505 185.3
[M]+ 378.97983 197.4
[M]- 378.98093 197.4
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.