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]+ 335.23293 184.9
[M+Na]+ 357.21487 189.2
[M-H]- 333.21837 189.2
[M+NH4]+ 352.25947 199.2
[M+K]+ 373.18881 187.8
[M+H-H2O]+ 317.22291 176.8
[M+HCOO]- 379.22385 207.6
[M+CH3COO]- 393.23950 223.1
[M+Na-2H]- 355.20032 183.1
[M]+ 334.22510 190.8
[M]- 334.22620 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.