CID 203066

Benzamide, 5-amino-2-((5-phthalimidopentyl)oxy)-

Structural Information

Molecular Formula
C20H21N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=C(C=C(C=C3)N)C(=O)N
InChI
InChI=1S/C20H21N3O4/c21-13-8-9-17(16(12-13)18(22)24)27-11-5-1-4-10-23-19(25)14-6-2-3-7-15(14)20(23)26/h2-3,6-9,12H,1,4-5,10-11,21H2,(H2,22,24)
InChIKey
VURMJRKJXDXIDH-UHFFFAOYSA-N
Compound name
5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1532 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16048 186.4
[M+Na]+ 390.14242 193.2
[M-H]- 366.14592 192.0
[M+NH4]+ 385.18702 199.1
[M+K]+ 406.11636 188.3
[M+H-H2O]+ 350.15046 177.6
[M+HCOO]- 412.15140 207.5
[M+CH3COO]- 426.16705 222.7
[M+Na-2H]- 388.12787 185.5
[M]+ 367.15265 187.8
[M]- 367.15375 187.8
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.