CID 18348

Brn 2393320

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)CN(CC)CC)C
InChI
InChI=1S/C18H28N2O3/c1-6-9-23-18(22)15-10-13(4)17(14(5)11-15)19-16(21)12-20(7-2)8-3/h10-11H,6-9,12H2,1-5H3,(H,19,21)
InChIKey
ZVDFPPXCUNQTEU-UHFFFAOYSA-N
Compound name
propyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 180.2
[M+Na]+ 343.199218 185.0
[M-H]- 319.202724 184.8
[M+NH4]+ 338.243823 195.1
[M+K]+ 359.173158 183.9
[M+H-H2O]+ 303.207260 172.4
[M+HCOO]- 365.208201 203.4
[M+CH3COO]- 379.223851 220.1
[M+Na-2H]- 341.184666 179.0
[M]+ 320.20945142 185.8
[M]- 320.21054858 185.8
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.