CID 3068824

83850-82-2

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CCN(CC)CCNC(=O)C(C1=CC=CC=C1)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C21H27N3O3/c1-3-24(4-2)15-14-22-20(25)19(16-10-6-5-7-11-16)23-18-13-9-8-12-17(18)21(26)27/h5-13,19,23H,3-4,14-15H2,1-2H3,(H,22,25)(H,26,27)
InChIKey
RACLDIMYYYDJOT-UHFFFAOYSA-N
Compound name
2-[[2-[2-(diethylamino)ethylamino]-2-oxo-1-phenylethyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.20523 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 191.1
[M+Na]+ 392.19445 192.0
[M-H]- 368.19795 196.5
[M+NH4]+ 387.23905 201.4
[M+K]+ 408.16839 189.6
[M+H-H2O]+ 352.20249 181.3
[M+HCOO]- 414.20343 213.1
[M+CH3COO]- 428.21908 226.8
[M+Na-2H]- 390.17990 191.2
[M]+ 369.20468 191.1
[M]- 369.20578 191.1
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.