CID 18351

Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, butyl ester, hydrochloride

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)CN(CC)CC)C
InChI
InChI=1S/C19H30N2O3/c1-6-9-10-24-19(23)16-11-14(4)18(15(5)12-16)20-17(22)13-21(7-2)8-3/h11-12H,6-10,13H2,1-5H3,(H,20,22)
InChIKey
DGUGYSSEQSSZGM-UHFFFAOYSA-N
Compound name
butyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 184.9
[M+Na]+ 357.214868 189.2
[M-H]- 333.218374 189.2
[M+NH4]+ 352.259473 199.2
[M+K]+ 373.188808 187.8
[M+H-H2O]+ 317.222910 176.8
[M+HCOO]- 379.223851 207.6
[M+CH3COO]- 393.239501 223.1
[M+Na-2H]- 355.200316 183.1
[M]+ 334.22510142 190.8
[M]- 334.22619858 190.8
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.