CID 94419

Dimethyl 5,5'-methylenedianthranilate

Structural Information

Molecular Formula
C17H18N2O4
SMILES
COC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OC)N
InChI
InChI=1S/C17H18N2O4/c1-22-16(20)12-8-10(3-5-14(12)18)7-11-4-6-15(19)13(9-11)17(21)23-2/h3-6,8-9H,7,18-19H2,1-2H3
InChIKey
XEZPSTVEIZNGRR-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-[(4-amino-3-methoxycarbonylphenyl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

230
Patents

314.12665 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 173.7
[M+Na]+ 337.11587 180.6
[M-H]- 313.11937 180.0
[M+NH4]+ 332.16047 187.2
[M+K]+ 353.08981 177.9
[M+H-H2O]+ 297.12391 165.3
[M+HCOO]- 359.12485 196.9
[M+CH3COO]- 373.14050 212.1
[M+Na-2H]- 335.10132 173.5
[M]+ 314.12610 174.8
[M]- 314.12720 174.8
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