CID 5388855

Nsc639688

Structural Information

Molecular Formula
C15H11N3O3
SMILES
C1C2=CC=CC=C2N(C1=O)/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H11N3O3/c19-15-9-12-3-1-2-4-14(12)17(15)16-10-11-5-7-13(8-6-11)18(20)21/h1-8,10H,9H2/b16-10+
InChIKey
GIGSBAQYGUSLBJ-MHWRWJLKSA-N
Compound name
1-[(E)-(4-nitrophenyl)methylideneamino]-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 161.0
[M+Na]+ 304.06927 168.2
[M-H]- 280.07277 169.0
[M+NH4]+ 299.11387 177.5
[M+K]+ 320.04321 160.2
[M+H-H2O]+ 264.07731 156.9
[M+HCOO]- 326.07825 186.9
[M+CH3COO]- 340.09390 197.4
[M+Na-2H]- 302.05472 168.4
[M]+ 281.07950 159.8
[M]- 281.08060 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.