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

0
Patents

368.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 188.4
[M+Na]+ 391.16282 195.7
[M-H]- 367.16632 194.1
[M+NH4]+ 386.20742 201.8
[M+K]+ 407.13676 190.7
[M+H-H2O]+ 351.17086 179.4
[M+HCOO]- 413.17180 209.5
[M+CH3COO]- 427.18745 220.5
[M+Na-2H]- 389.14827 188.3
[M]+ 368.17305 193.0
[M]- 368.17415 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