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]+ 292.201946 172.9
[M+Na]+ 314.183888 176.7
[M-H]- 290.187394 179.9
[M+NH4]+ 309.228493 189.5
[M+K]+ 330.157828 177.1
[M+H-H2O]+ 274.191930 164.0
[M+HCOO]- 336.192871 200.5
[M+CH3COO]- 350.208521 219.7
[M+Na-2H]- 312.169336 175.2
[M]+ 291.19412142 178.5
[M]- 291.19521858 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.