CID 18349

Brn 2391411

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1C)C(=O)OCC)C
InChI
InChI=1S/C17H26N2O3/c1-6-19(7-2)11-15(20)18-16-12(4)9-14(10-13(16)5)17(21)22-8-3/h9-10H,6-8,11H2,1-5H3,(H,18,20)
InChIKey
HSKWGHBCIKPNJR-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 175.6
[M+Na]+ 329.183558 180.8
[M-H]- 305.187064 180.4
[M+NH4]+ 324.228163 191.1
[M+K]+ 345.157498 179.9
[M+H-H2O]+ 289.191600 167.9
[M+HCOO]- 351.192541 199.1
[M+CH3COO]- 365.208191 217.2
[M+Na-2H]- 327.169006 174.8
[M]+ 306.19379142 180.8
[M]- 306.19488858 180.8
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.