CID 3041573

Brn 2784137

Structural Information

Molecular Formula
C21H25FN2O4
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)F
InChI
InChI=1S/C21H25FN2O4/c1-3-24(4-2)13-14-27-21(26)16-5-9-18(10-6-16)23-20(25)15-28-19-11-7-17(22)8-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,23,25)
InChIKey
VCTRHIUAGNJCNA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[[2-(4-fluorophenoxy)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17984 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18712 193.8
[M+Na]+ 411.16906 197.2
[M-H]- 387.17256 199.6
[M+NH4]+ 406.21366 204.7
[M+K]+ 427.14300 195.1
[M+H-H2O]+ 371.17710 182.9
[M+HCOO]- 433.17804 216.4
[M+CH3COO]- 447.19369 228.2
[M+Na-2H]- 409.15451 193.8
[M]+ 388.17929 197.6
[M]- 388.18039 197.6
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.