CID 9588917

160282-18-8

Structural Information

Molecular Formula
C17H13BrN2O3
SMILES
C1=CC=C(C=C1)/C(=N\NC(=O)/C=C\C(=O)O)/C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H13BrN2O3/c18-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)20-19-15(21)10-11-16(22)23/h1-11H,(H,19,21)(H,22,23)/b11-10-,20-17+
InChIKey
YNCBQWBCWCWAAW-ZVDZJOMHSA-N
Compound name
(Z)-4-[(2E)-2-[(4-bromophenyl)-phenylmethylidene]hydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.01096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.01824 176.8
[M+Na]+ 395.00018 183.8
[M-H]- 371.00368 185.0
[M+NH4]+ 390.04478 191.1
[M+K]+ 410.97412 171.4
[M+H-H2O]+ 355.00822 173.6
[M+HCOO]- 417.00916 197.6
[M+CH3COO]- 431.02481 214.0
[M+Na-2H]- 392.98563 180.4
[M]+ 372.01041 193.5
[M]- 372.01151 193.5
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.