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]+ 369.144476 185.5
[M+Na]+ 391.126418 192.6
[M-H]- 367.129924 190.3
[M+NH4]+ 386.171023 198.0
[M+K]+ 407.100358 187.8
[M+H-H2O]+ 351.134460 177.2
[M+HCOO]- 413.135401 204.9
[M+CH3COO]- 427.151051 217.8
[M+Na-2H]- 389.111866 184.8
[M]+ 368.13665142 188.2
[M]- 368.13774858 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.