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]+ 321.21728 180.2
[M+Na]+ 343.19922 185.0
[M-H]- 319.20272 184.8
[M+NH4]+ 338.24382 195.1
[M+K]+ 359.17316 183.9
[M+H-H2O]+ 303.20726 172.4
[M+HCOO]- 365.20820 203.4
[M+CH3COO]- 379.22385 220.1
[M+Na-2H]- 341.18467 179.0
[M]+ 320.20945 185.8
[M]- 320.21055 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.