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]+ 370.212506 191.1
[M+Na]+ 392.194448 192.0
[M-H]- 368.197954 196.5
[M+NH4]+ 387.239053 201.4
[M+K]+ 408.168388 189.6
[M+H-H2O]+ 352.202490 181.3
[M+HCOO]- 414.203431 213.1
[M+CH3COO]- 428.219081 226.8
[M+Na-2H]- 390.179896 191.2
[M]+ 369.20468142 191.1
[M]- 369.20577858 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.