CID 59272

102280-37-5

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]+ 311.17540 173.4
[M+Na]+ 333.15734 178.2
[M-H]- 309.16084 181.2
[M+NH4]+ 328.20194 188.6
[M+K]+ 349.13128 175.1
[M+H-H2O]+ 293.16538 164.6
[M+HCOO]- 355.16632 194.4
[M+CH3COO]- 369.18197 215.1
[M+Na-2H]- 331.14279 175.8
[M]+ 310.16757 171.5
[M]- 310.16867 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.