CID 3033804

105310-41-6

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCCN(CCC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O/c1-3-10-19(11-4-2)16(20)17(12-15(17)13-18)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,18H2,1-2H3/t15-,17+/m1/s1
InChIKey
GGRBZIQYFCKSOC-WBVHZDCISA-N
Compound name
(1R,2S)-2-(aminomethyl)-1-phenyl-N,N-dipropylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 164.2
[M+Na]+ 297.19372 170.4
[M-H]- 273.19722 172.0
[M+NH4]+ 292.23832 177.5
[M+K]+ 313.16766 167.8
[M+H-H2O]+ 257.20176 157.4
[M+HCOO]- 319.20270 187.8
[M+CH3COO]- 333.21835 210.5
[M+Na-2H]- 295.17917 167.1
[M]+ 274.20395 167.8
[M]- 274.20505 167.8
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.