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

1
Patents

220.12119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 149.8
[M+Na]+ 243.110408 156.1
[M-H]- 219.113914 156.2
[M+NH4]+ 238.155013 169.1
[M+K]+ 259.084348 156.1
[M+H-H2O]+ 203.118450 142.5
[M+HCOO]- 265.119391 177.4
[M+CH3COO]- 279.135041 199.2
[M+Na-2H]- 241.095856 154.8
[M]+ 220.12064142 153.6
[M]- 220.12173858 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

patents stripe