CID 3406787

53810-94-9

Structural Information

Molecular Formula
C16H15ClN2O3
SMILES
C=CC(=O)NCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)Cl)O
InChI
InChI=1S/C16H15ClN2O3/c1-2-14(20)18-7-8-19-16(22)12-9-13(17)10-5-3-4-6-11(10)15(12)21/h2-6,9,21H,1,7-8H2,(H,18,20)(H,19,22)
InChIKey
UKXRCZRKUIEYHC-UHFFFAOYSA-N
Compound name
4-chloro-1-hydroxy-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

318.07712 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08440 170.9
[M+Na]+ 341.06634 178.3
[M-H]- 317.06984 174.1
[M+NH4]+ 336.11094 186.2
[M+K]+ 357.04028 172.5
[M+H-H2O]+ 301.07438 165.0
[M+HCOO]- 363.07532 188.3
[M+CH3COO]- 377.09097 209.0
[M+Na-2H]- 339.05179 174.1
[M]+ 318.07657 173.1
[M]- 318.07767 173.1
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