CID 45054415

444098-45-7

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C15H15N3O3/c1-11-5-2-3-7-13(11)15(20)16-10-14(19)18-17-9-12-6-4-8-21-12/h2-9H,10H2,1H3,(H,16,20)(H,18,19)/b17-9+
InChIKey
KQTRZCFFCWPYJE-RQZCQDPDSA-N
Compound name
N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 166.5
[M+Na]+ 308.10055 171.5
[M-H]- 284.10405 175.2
[M+NH4]+ 303.14515 181.9
[M+K]+ 324.07449 170.2
[M+H-H2O]+ 268.10859 158.0
[M+HCOO]- 330.10953 194.1
[M+CH3COO]- 344.12518 207.2
[M+Na-2H]- 306.08600 171.0
[M]+ 285.11078 168.0
[M]- 285.11188 168.0
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.