CID 9625605

2-iodo-n'-(1-methyl-3-phenyl-2-propenylidene)benzohydrazide

Structural Information

Molecular Formula
C17H15IN2O
SMILES
C/C(=N\NC(=O)C1=CC=CC=C1I)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H15IN2O/c1-13(11-12-14-7-3-2-4-8-14)19-20-17(21)15-9-5-6-10-16(15)18/h2-12H,1H3,(H,20,21)/b12-11+,19-13+
InChIKey
ZHKWHJLSFRXKNK-DUPDGBOPSA-N
Compound name
2-iodo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.02292 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.03020 180.4
[M+Na]+ 413.01214 178.3
[M-H]- 389.01564 180.2
[M+NH4]+ 408.05674 190.7
[M+K]+ 428.98608 179.8
[M+H-H2O]+ 373.02018 167.8
[M+HCOO]- 435.02112 200.1
[M+CH3COO]- 449.03677 213.7
[M+Na-2H]- 410.99759 171.9
[M]+ 390.02237 176.3
[M]- 390.02347 176.3
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.