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]+ 354.217606 188.8
[M+Na]+ 376.199548 189.4
[M-H]- 352.203054 195.2
[M+NH4]+ 371.244153 200.3
[M+K]+ 392.173488 187.0
[M+H-H2O]+ 336.207590 178.7
[M+HCOO]- 398.208531 212.1
[M+CH3COO]- 412.224181 225.0
[M+Na-2H]- 374.184996 189.9
[M]+ 353.20978142 188.7
[M]- 353.21087858 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.