CID 46316

Beta-diethylaminoethyl-4-amino-4'-biphenylcarboxylate hydrochloride

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C19H24N2O2/c1-3-21(4-2)13-14-23-19(22)17-7-5-15(6-8-17)16-9-11-18(20)12-10-16/h5-12H,3-4,13-14,20H2,1-2H3
InChIKey
GXWDTFUGPBKDSQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-(4-aminophenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.191056 177.3
[M+Na]+ 335.172998 181.8
[M-H]- 311.176504 184.3
[M+NH4]+ 330.217603 191.5
[M+K]+ 351.146938 178.9
[M+H-H2O]+ 295.181040 168.1
[M+HCOO]- 357.181981 201.4
[M+CH3COO]- 371.197631 215.4
[M+Na-2H]- 333.158446 178.8
[M]+ 312.18323142 179.1
[M]- 312.18432858 179.1
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.