CID 55342

Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (z)-, maleate

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN(C(C)C)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C19H29NO2/c1-6-22-18(21)19(16-10-8-7-9-11-16)12-17(19)13-20(14(2)3)15(4)5/h7-11,14-15,17H,6,12-13H2,1-5H3/t17-,19+/m1/s1
InChIKey
DPHGQUKOZNRPFO-MJGOQNOKSA-N
Compound name
ethyl (1R,2S)-2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 172.2
[M+Na]+ 326.20904 177.7
[M-H]- 302.21254 180.3
[M+NH4]+ 321.25364 184.8
[M+K]+ 342.18298 176.6
[M+H-H2O]+ 286.21708 165.6
[M+HCOO]- 348.21802 193.0
[M+CH3COO]- 362.23367 215.7
[M+Na-2H]- 324.19449 172.5
[M]+ 303.21927 178.4
[M]- 303.22037 178.4
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

No patent data available for this compound.