CID 11073

Naphthocaine hydrochloride

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C2=CC=CC=C21)N
InChI
InChI=1S/C17H22N2O2/c1-3-19(4-2)11-12-21-17(20)15-9-10-16(18)14-8-6-5-7-13(14)15/h5-10H,3-4,11-12,18H2,1-2H3
InChIKey
ZSYWYFNJKDJHKS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-aminonaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

286.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.9
[M+Na]+ 309.15734 174.4
[M-H]- 285.16084 173.8
[M+NH4]+ 304.20194 185.5
[M+K]+ 325.13128 171.9
[M+H-H2O]+ 269.16538 161.0
[M+HCOO]- 331.16632 192.1
[M+CH3COO]- 345.18197 211.3
[M+Na-2H]- 307.14279 172.3
[M]+ 286.16757 171.4
[M]- 286.16867 171.4
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