CID 5388850

Nsc639671

Structural Information

Molecular Formula
C17H13N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N/N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13N3O3/c1-11(21)19-13-8-6-12(7-9-13)10-18-20-16(22)14-4-2-3-5-15(14)17(20)23/h2-10H,1H3,(H,19,21)/b18-10+
InChIKey
ILCRETRYCYBSOE-VCHYOVAHSA-N
Compound name
N-[4-[(E)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.0957 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 168.5
[M+Na]+ 330.08492 177.0
[M-H]- 306.08842 176.8
[M+NH4]+ 325.12952 184.9
[M+K]+ 346.05886 172.7
[M+H-H2O]+ 290.09296 160.0
[M+HCOO]- 352.09390 193.6
[M+CH3COO]- 366.10955 211.3
[M+Na-2H]- 328.07037 172.2
[M]+ 307.09515 170.0
[M]- 307.09625 170.0
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.