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 172.9
[M+Na]+ 314.18389 176.7
[M-H]- 290.18739 179.9
[M+NH4]+ 309.22849 189.5
[M+K]+ 330.15783 177.1
[M+H-H2O]+ 274.19193 164.0
[M+HCOO]- 336.19287 200.5
[M+CH3COO]- 350.20852 219.7
[M+Na-2H]- 312.16934 175.2
[M]+ 291.19412 178.5
[M]- 291.19522 178.5
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.