CID 93817

57834-33-0

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CN(C)C2=CC=CC=C2
InChI
InChI=1S/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3
InChIKey
GNGYPJUKIKDJQT-UHFFFAOYSA-N
Compound name
ethyl 4-[(N-methylanilino)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

301
Patents

282.13684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 167.1
[M+Na]+ 305.12606 179.8
[M+NH4]+ 300.17066 175.0
[M+K]+ 321.10000 172.1
[M-H]- 281.12956 172.7
[M+Na-2H]- 303.11151 176.5
[M]+ 282.13629 170.4
[M]- 282.13739 170.4
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