CID 10080

Carbifene

Structural Information

Molecular Formula
C28H34N2O2
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)CCN(C)CCC3=CC=CC=C3
InChI
InChI=1S/C28H34N2O2/c1-4-32-28(25-16-10-6-11-17-25,26-18-12-7-13-19-26)27(31)30(3)23-22-29(2)21-20-24-14-8-5-9-15-24/h5-19H,4,20-23H2,1-3H3
InChIKey
NQIZDFMZAXUZCZ-UHFFFAOYSA-N
Compound name
2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

4256
Patents

430.26202 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.269296 210.3
[M+Na]+ 453.251238 210.5
[M-H]- 429.254744 220.3
[M+NH4]+ 448.295843 219.0
[M+K]+ 469.225178 207.3
[M+H-H2O]+ 413.259280 198.5
[M+HCOO]- 475.260221 231.8
[M+CH3COO]- 489.275871 239.6
[M+Na-2H]- 451.236686 212.3
[M]+ 430.26147142 213.1
[M]- 430.26256858 213.1
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