CID 40406

Dethamid

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CCN(CC)CCC(C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C21H27N3O2/c1-3-24(4-2)16-15-19(20(25)22-17-11-7-5-8-12-17)21(26)23-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,25)(H,23,26)
InChIKey
YHGQPJXUPRYUQS-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-N,N'-diphenylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 188.8
[M+Na]+ 376.19955 189.4
[M-H]- 352.20305 195.2
[M+NH4]+ 371.24415 200.3
[M+K]+ 392.17349 187.0
[M+H-H2O]+ 336.20759 178.7
[M+HCOO]- 398.20853 212.1
[M+CH3COO]- 412.22418 225.0
[M+Na-2H]- 374.18500 189.9
[M]+ 353.20978 188.7
[M]- 353.21088 188.7
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.