CID 978718

302575-00-4

Structural Information

Molecular Formula
C19H15ClN2O6
SMILES
COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H15ClN2O6/c1-27-15-8-14(13(20)7-12(15)19(26)28-2)21-16(23)9-22-17(24)10-5-3-4-6-11(10)18(22)25/h3-8H,9H2,1-2H3,(H,21,23)
InChIKey
UNHLQHZXVQKQAZ-UHFFFAOYSA-N
Compound name
methyl 5-chloro-4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.06186 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.06914 188.4
[M+Na]+ 425.05108 197.8
[M-H]- 401.05458 195.7
[M+NH4]+ 420.09568 201.5
[M+K]+ 441.02502 193.8
[M+H-H2O]+ 385.05912 181.2
[M+HCOO]- 447.06006 205.1
[M+CH3COO]- 461.07571 223.6
[M+Na-2H]- 423.03653 187.7
[M]+ 402.06131 196.2
[M]- 402.06241 196.2
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

No patent data available for this compound.