CID 10453047

199808-02-1

Structural Information

Molecular Formula
C22H21N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCNCCCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H21N3O4/c26-19-15-7-1-2-8-16(15)20(27)24(19)13-5-11-23-12-6-14-25-21(28)17-9-3-4-10-18(17)22(25)29/h1-4,7-10,23H,5-6,11-14H2
InChIKey
UTFSALSHCXWUKG-UHFFFAOYSA-N
Compound name
2-[3-[3-(1,3-dioxoisoindol-2-yl)propylamino]propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

391.1532 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.160476 192.8
[M+Na]+ 414.142418 200.9
[M-H]- 390.145924 199.1
[M+NH4]+ 409.187023 206.8
[M+K]+ 430.116358 194.7
[M+H-H2O]+ 374.150460 184.2
[M+HCOO]- 436.151401 212.3
[M+CH3COO]- 450.167051 224.8
[M+Na-2H]- 412.127866 191.7
[M]+ 391.15265142 196.4
[M]- 391.15374858 196.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe