CID 3568985

73546-15-3

Structural Information

Molecular Formula
C17H17ClN2O3
SMILES
CC(=C)C(=O)NCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)Cl)O
InChI
InChI=1S/C17H17ClN2O3/c1-10(2)16(22)19-7-8-20-17(23)13-9-14(18)11-5-3-4-6-12(11)15(13)21/h3-6,9,21H,1,7-8H2,2H3,(H,19,22)(H,20,23)
InChIKey
BAPYSZQSNLENHT-UHFFFAOYSA-N
Compound name
4-chloro-1-hydroxy-N-[2-(2-methylprop-2-enoylamino)ethyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

332.09277 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.100046 175.5
[M+Na]+ 355.081988 182.1
[M-H]- 331.085494 178.5
[M+NH4]+ 350.126593 190.1
[M+K]+ 371.055928 176.7
[M+H-H2O]+ 315.090030 169.6
[M+HCOO]- 377.090971 191.5
[M+CH3COO]- 391.106621 212.9
[M+Na-2H]- 353.067436 177.0
[M]+ 332.09222142 177.5
[M]- 332.09331858 177.5
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

patents stripe