CID 9638058

767306-31-0

Structural Information

Molecular Formula
C14H12IN3O3
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=CC=CO2)I
InChI
InChI=1S/C14H12IN3O3/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
SFAXRLABDWQNKV-CAOOACKPSA-N
Compound name
N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.99234 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.99962 185.1
[M+Na]+ 419.98156 183.0
[M-H]- 395.98506 186.2
[M+NH4]+ 415.02616 195.2
[M+K]+ 435.95550 187.3
[M+H-H2O]+ 379.98960 172.6
[M+HCOO]- 441.99054 206.8
[M+CH3COO]- 456.00619 214.0
[M+Na-2H]- 417.96701 176.5
[M]+ 396.99179 183.2
[M]- 396.99289 183.2
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.