CID 17146

Beta-diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=CN(C)C
InChI
InChI=1S/C16H25N3O2/c1-5-19(6-2)11-12-21-16(20)14-7-9-15(10-8-14)17-13-18(3)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKey
QKLRDBTVKGTTHM-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-(dimethylaminomethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 172.2
[M+Na]+ 314.18389 181.0
[M+NH4]+ 309.22849 178.7
[M+K]+ 330.15783 175.0
[M-H]- 290.18739 175.5
[M+Na-2H]- 312.16934 177.5
[M]+ 291.19412 174.0
[M]- 291.19522 174.0
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.