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]+ 294.12370 166.5
[M+Na]+ 316.10564 175.2
[M-H]- 292.10914 176.1
[M+NH4]+ 311.15024 184.2
[M+K]+ 332.07958 171.7
[M+H-H2O]+ 276.11368 157.7
[M+HCOO]- 338.11462 192.7
[M+CH3COO]- 352.13027 212.9
[M+Na-2H]- 314.09109 170.3
[M]+ 293.11587 169.1
[M]- 293.11697 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.