CID 9575071

2-methyl-furan-3-carboxylic acid [4-chloro-3-(prop-2-ynyloxyimino-methyl)-phenyl]-amide

Structural Information

Molecular Formula
C16H13ClN2O3
SMILES
CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2)Cl)/C=N/OCC#C
InChI
InChI=1S/C16H13ClN2O3/c1-3-7-22-18-10-12-9-13(4-5-15(12)17)19-16(20)14-6-8-21-11(14)2/h1,4-6,8-10H,7H2,2H3,(H,19,20)/b18-10+
InChIKey
ZTLBJNBCDMXNNY-VCHYOVAHSA-N
Compound name
N-[4-chloro-3-[(E)-prop-2-ynoxyiminomethyl]phenyl]-2-methylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06874 176.3
[M+Na]+ 339.05068 187.3
[M-H]- 315.05418 182.3
[M+NH4]+ 334.09528 190.3
[M+K]+ 355.02462 181.3
[M+H-H2O]+ 299.05872 162.9
[M+HCOO]- 361.05966 192.8
[M+CH3COO]- 375.07531 215.0
[M+Na-2H]- 337.03613 177.5
[M]+ 316.06091 176.2
[M]- 316.06201 176.2
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.