CID 201393

5896-96-8

Structural Information

Molecular Formula
C21H24N2O4
SMILES
COCC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C21H24N2O4/c1-26-14-15-13-16(22)9-10-19(15)27-12-6-2-5-11-23-20(24)17-7-3-4-8-18(17)21(23)25/h3-4,7-10,13H,2,5-6,11-12,14,22H2,1H3
InChIKey
VEDDOGRVYDWTJF-UHFFFAOYSA-N
Compound name
2-[5-[4-amino-2-(methoxymethyl)phenoxy]pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.180876 188.4
[M+Na]+ 391.162818 195.7
[M-H]- 367.166324 194.1
[M+NH4]+ 386.207423 201.8
[M+K]+ 407.136758 190.7
[M+H-H2O]+ 351.170860 179.4
[M+HCOO]- 413.171801 209.5
[M+CH3COO]- 427.187451 220.5
[M+Na-2H]- 389.148266 188.3
[M]+ 368.17305142 193.0
[M]- 368.17414858 193.0
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

patents stripe