CID 5902

Camylofine

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C
InChI
InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3
InChIKey
RYOOHIUJEJZCFT-UHFFFAOYSA-N
Compound name
3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

36
References

1255
Patents

320.24637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.253646 185.2
[M+Na]+ 343.235588 186.1
[M-H]- 319.239094 188.3
[M+NH4]+ 338.280193 199.0
[M+K]+ 359.209528 185.1
[M+H-H2O]+ 303.243630 176.5
[M+HCOO]- 365.244571 206.5
[M+CH3COO]- 379.260221 219.7
[M+Na-2H]- 341.221036 184.0
[M]+ 320.24582142 188.6
[M]- 320.24691858 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe