CID 5278573

Chembl66584

Structural Information

Molecular Formula
C15H13ClN2O3
SMILES
CN1C=C(C=C1/C=C/C(=O)NO)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClN2O3/c1-18-9-11(8-13(18)6-7-14(19)17-21)15(20)10-2-4-12(16)5-3-10/h2-9,21H,1H3,(H,17,19)/b7-6+
InChIKey
CMHCBVUOMXLSGS-VOTSOKGWSA-N
Compound name
(E)-3-[4-(4-chlorobenzoyl)-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

304.06146 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06874 168.4
[M+Na]+ 327.05068 176.8
[M-H]- 303.05418 173.1
[M+NH4]+ 322.09528 183.8
[M+K]+ 343.02462 171.0
[M+H-H2O]+ 287.05872 161.6
[M+HCOO]- 349.05966 186.1
[M+CH3COO]- 363.07531 201.3
[M+Na-2H]- 325.03613 168.5
[M]+ 304.06091 170.7
[M]- 304.06201 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.