CID 26243

13737-98-9

Structural Information

Molecular Formula
C20H20N2O5
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=C(C=C(C=C3)N)C(=O)O
InChI
InChI=1S/C20H20N2O5/c21-13-8-9-17(16(12-13)20(25)26)27-11-5-1-4-10-22-18(23)14-6-2-3-7-15(14)19(22)24/h2-3,6-9,12H,1,4-5,10-11,21H2,(H,25,26)
InChIKey
ZCLNIPUJEKUSEP-UHFFFAOYSA-N
Compound name
5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14448 185.5
[M+Na]+ 391.12642 192.6
[M-H]- 367.12992 190.3
[M+NH4]+ 386.17102 198.0
[M+K]+ 407.10036 187.8
[M+H-H2O]+ 351.13446 177.2
[M+HCOO]- 413.13540 204.9
[M+CH3COO]- 427.15105 217.8
[M+Na-2H]- 389.11187 184.8
[M]+ 368.13665 188.2
[M]- 368.13775 188.2
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

No patent data available for this compound.