CID 203067

Benzamide, 5-amino-n-(2-(diethylamino)ethyl)-2-(octyloxy)-

Structural Information

Molecular Formula
C21H37N3O2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C(=O)NCCN(CC)CC
InChI
InChI=1S/C21H37N3O2/c1-4-7-8-9-10-11-16-26-20-13-12-18(22)17-19(20)21(25)23-14-15-24(5-2)6-3/h12-13,17H,4-11,14-16,22H2,1-3H3,(H,23,25)
InChIKey
VVBBHRDHFVMTKJ-UHFFFAOYSA-N
Compound name
5-amino-N-[2-(diethylamino)ethyl]-2-octoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.28857 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.29585 196.1
[M+Na]+ 386.27779 197.6
[M-H]- 362.28129 198.9
[M+NH4]+ 381.32239 208.3
[M+K]+ 402.25173 195.0
[M+H-H2O]+ 346.28583 186.8
[M+HCOO]- 408.28677 219.1
[M+CH3COO]- 422.30242 230.9
[M+Na-2H]- 384.26324 194.3
[M]+ 363.28802 200.4
[M]- 363.28912 200.4
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.