CID 5349470

3,5-dibromo-n'-[(e)-[2,5-dimethyl-1-(3-nitrophenyl)-1h-pyrrol-3-yl]methylidene]-4-hydroxybenzohydrazide

Structural Information

Molecular Formula
C20H16Br2N4O4
SMILES
CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)/C=N/NC(=O)C3=CC(=C(C(=C3)Br)O)Br
InChI
InChI=1S/C20H16Br2N4O4/c1-11-6-14(12(2)25(11)15-4-3-5-16(9-15)26(29)30)10-23-24-20(28)13-7-17(21)19(27)18(22)8-13/h3-10,27H,1-2H3,(H,24,28)/b23-10+
InChIKey
DUGCMEGLYHBMAR-AUEPDCJTSA-N
Compound name
3,5-dibromo-N-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-4-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.95386 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.96114 201.6
[M+Na]+ 556.94308 208.7
[M-H]- 532.94658 211.9
[M+NH4]+ 551.98768 211.6
[M+K]+ 572.91702 189.4
[M+H-H2O]+ 516.95112 207.8
[M+HCOO]- 578.95206 217.8
[M+CH3COO]- 592.96771 236.2
[M+Na-2H]- 554.92853 203.1
[M]+ 533.95331 235.6
[M]- 533.95441 235.6
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.