CID 45054864

2-iodo-n-(2-oxo-2-(2-(2-thienylmethylene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C14H12IN3O2S
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=CC=CS2)I
InChI
InChI=1S/C14H12IN3O2S/c15-12-6-2-1-5-11(12)14(20)16-9-13(19)18-17-8-10-4-3-7-21-10/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKey
JZZLKWNWPBFOHE-CAOOACKPSA-N
Compound name
2-iodo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.9695 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.97678 187.0
[M+Na]+ 435.95872 185.3
[M-H]- 411.96222 187.5
[M+NH4]+ 431.00332 198.4
[M+K]+ 451.93266 187.2
[M+H-H2O]+ 395.96676 174.8
[M+HCOO]- 457.96770 204.4
[M+CH3COO]- 471.98335 215.2
[M+Na-2H]- 433.94417 175.8
[M]+ 412.96895 185.4
[M]- 412.97005 185.4
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.