CID 32361

Isocaine lactate

Structural Information

Molecular Formula
C20H27NO2
SMILES
CC(CC1=CC=CC=C1OC)NC(C)CC2=CC=CC=C2OC
InChI
InChI=1S/C20H27NO2/c1-15(13-17-9-5-7-11-19(17)22-3)21-16(2)14-18-10-6-8-12-20(18)23-4/h5-12,15-16,21H,13-14H2,1-4H3
InChIKey
SKVZMKWCURTNKK-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 178.5
[M+Na]+ 336.19342 182.7
[M-H]- 312.19692 184.4
[M+NH4]+ 331.23802 192.6
[M+K]+ 352.16736 179.6
[M+H-H2O]+ 296.20146 169.7
[M+HCOO]- 358.20240 200.2
[M+CH3COO]- 372.21805 212.9
[M+Na-2H]- 334.17887 179.7
[M]+ 313.20365 181.3
[M]- 313.20475 181.3
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.