CID 199790

4956-86-9

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCCOC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C22H26N2O4/c1-2-13-27-20-15-16(23)10-11-19(20)28-14-7-3-6-12-24-21(25)17-8-4-5-9-18(17)22(24)26/h4-5,8-11,15H,2-3,6-7,12-14,23H2,1H3
InChIKey
IIIAEJGKACTKEJ-UHFFFAOYSA-N
Compound name
2-[5-(4-amino-2-propoxyphenoxy)pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

382.18927 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.196546 192.9
[M+Na]+ 405.178488 199.7
[M-H]- 381.181994 198.4
[M+NH4]+ 400.223093 205.7
[M+K]+ 421.152428 194.6
[M+H-H2O]+ 365.186530 183.7
[M+HCOO]- 427.187471 213.7
[M+CH3COO]- 441.203121 223.4
[M+Na-2H]- 403.163936 192.3
[M]+ 382.18872142 197.8
[M]- 382.18981858 197.8
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

patents stripe