CID 9946627

143878-20-0

Structural Information

Molecular Formula
C23H18N2O2
SMILES
C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C23H18N2O2/c26-22-18-10-4-5-11-19(18)23(27)25(22)14-21-17-9-3-1-7-15(17)13-16-8-2-6-12-20(16)24-21/h1-12,21,24H,13-14H2
InChIKey
XXHUCKUXFLTXAG-UHFFFAOYSA-N
Compound name
2-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

354.13684 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.144116 187.4
[M+Na]+ 377.126058 195.9
[M-H]- 353.129564 194.4
[M+NH4]+ 372.170663 200.9
[M+K]+ 393.099998 191.0
[M+H-H2O]+ 337.134100 179.3
[M+HCOO]- 399.135041 202.1
[M+CH3COO]- 413.150691 196.6
[M+Na-2H]- 375.111506 189.7
[M]+ 354.13629142 183.4
[M]- 354.13738858 183.4
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