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]+ 368.160476 186.4
[M+Na]+ 390.142418 193.2
[M-H]- 366.145924 192.0
[M+NH4]+ 385.187023 199.1
[M+K]+ 406.116358 188.3
[M+H-H2O]+ 350.150460 177.6
[M+HCOO]- 412.151401 207.5
[M+CH3COO]- 426.167051 222.7
[M+Na-2H]- 388.127866 185.5
[M]+ 367.15265142 187.8
[M]- 367.15374858 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.