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

11
Patents

332.09277 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10005 175.5
[M+Na]+ 355.08199 182.1
[M-H]- 331.08549 178.5
[M+NH4]+ 350.12659 190.1
[M+K]+ 371.05593 176.7
[M+H-H2O]+ 315.09003 169.6
[M+HCOO]- 377.09097 191.5
[M+CH3COO]- 391.10662 212.9
[M+Na-2H]- 353.06744 177.0
[M]+ 332.09222 177.5
[M]- 332.09332 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