CID 3006766

Chembl87784

Structural Information

Molecular Formula
C14H7N5O3
SMILES
C1=CC=C2C(=C1)C3=C(C4=C(N3N=N2)C=CC(=C4)[N+](=O)[O-])N=O
InChI
InChI=1S/C14H7N5O3/c20-16-13-10-7-8(19(21)22)5-6-12(10)18-14(13)9-3-1-2-4-11(9)15-17-18/h1-7H
InChIKey
HYOJIJMVPZJAJM-UHFFFAOYSA-N
Compound name
10-nitro-12-nitrosoindolo[1,2-c][1,2,3]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.0549 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.062176 158.6
[M+Na]+ 316.044118 170.2
[M-H]- 292.047624 164.2
[M+NH4]+ 311.088723 174.2
[M+K]+ 332.018058 161.5
[M+H-H2O]+ 276.052160 153.3
[M+HCOO]- 338.053101 183.8
[M+CH3COO]- 352.068751 201.9
[M+Na-2H]- 314.029566 172.7
[M]+ 293.05435142 163.1
[M]- 293.05544858 163.1
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.