CID 44414

P-(((dimethylamino)methylene)amino)benzoic acid ethyl ester

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CN(C)C
InChI
InChI=1S/C12H16N2O2/c1-4-16-12(15)10-5-7-11(8-6-10)13-9-14(2)3/h5-9H,4H2,1-3H3
InChIKey
GHHKNAGPUBEDLN-UHFFFAOYSA-N
Compound name
ethyl 4-(dimethylaminomethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.8
[M+Na]+ 243.11041 156.1
[M-H]- 219.11391 156.2
[M+NH4]+ 238.15501 169.1
[M+K]+ 259.08435 156.1
[M+H-H2O]+ 203.11845 142.5
[M+HCOO]- 265.11939 177.4
[M+CH3COO]- 279.13504 199.2
[M+Na-2H]- 241.09586 154.8
[M]+ 220.12064 153.6
[M]- 220.12174 153.6
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.