CID 5388849

95496-91-6

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CN(C)C1=CC=C(C=C1)/C=N/N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H15N3O2/c1-19(2)13-9-7-12(8-10-13)11-18-20-16(21)14-5-3-4-6-15(14)17(20)22/h3-11H,1-2H3/b18-11+
InChIKey
RVPQHWSMWINUKC-WOJGMQOQSA-N
Compound name
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

293.11642 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 166.5
[M+Na]+ 316.105638 175.2
[M-H]- 292.109144 176.1
[M+NH4]+ 311.150243 184.2
[M+K]+ 332.079578 171.7
[M+H-H2O]+ 276.113680 157.7
[M+HCOO]- 338.114621 192.7
[M+CH3COO]- 352.130271 212.9
[M+Na-2H]- 314.091086 170.3
[M]+ 293.11587142 169.1
[M]- 293.11696858 169.1
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

No patent data available for this compound.