CID 84895

Diethyl 5,5'-methylenedianthranilate

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OCC)N
InChI
InChI=1S/C19H22N2O4/c1-3-24-18(22)14-10-12(5-7-16(14)20)9-13-6-8-17(21)15(11-13)19(23)25-4-2/h5-8,10-11H,3-4,9,20-21H2,1-2H3
InChIKey
HQNXNKDEVVRPSA-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-[(4-amino-3-ethoxycarbonylphenyl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

342.15796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.165236 182.8
[M+Na]+ 365.147178 188.8
[M-H]- 341.150684 188.7
[M+NH4]+ 360.191783 195.2
[M+K]+ 381.121118 185.7
[M+H-H2O]+ 325.155220 174.0
[M+HCOO]- 387.156161 205.3
[M+CH3COO]- 401.171811 218.1
[M+Na-2H]- 363.132626 181.6
[M]+ 342.15741142 184.6
[M]- 342.15850858 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe