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

331
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 166.5
[M+Na]+ 305.12606 171.8
[M-H]- 281.12956 175.5
[M+NH4]+ 300.17066 182.6
[M+K]+ 321.10000 169.9
[M+H-H2O]+ 265.13410 157.3
[M+HCOO]- 327.13504 193.7
[M+CH3COO]- 341.15069 209.9
[M+Na-2H]- 303.11151 171.4
[M]+ 282.13629 169.3
[M]- 282.13739 169.3
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