CID 59272

1-naphthol, 1,2,3,4-tetrahydro-2-dimethylamino-, p-aminobenzoate, hydrochloride, (z)-

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CN(C)[C@H]1CCC2=CC=CC=C2[C@H]1OC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C19H22N2O2/c1-21(2)17-12-9-13-5-3-4-6-16(13)18(17)23-19(22)14-7-10-15(20)11-8-14/h3-8,10-11,17-18H,9,12,20H2,1-2H3/t17-,18+/m0/s1
InChIKey
KVSHZSBORGCZRT-ZWKOTPCHSA-N
Compound name
[(1R,2S)-2-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 173.4
[M+Na]+ 333.157338 178.2
[M-H]- 309.160844 181.2
[M+NH4]+ 328.201943 188.6
[M+K]+ 349.131278 175.1
[M+H-H2O]+ 293.165380 164.6
[M+HCOO]- 355.166321 194.4
[M+CH3COO]- 369.181971 215.1
[M+Na-2H]- 331.142786 175.8
[M]+ 310.16757142 171.5
[M]- 310.16866858 171.5
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

No patent data available for this compound.