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]+ 294.06218 158.6
[M+Na]+ 316.04412 170.2
[M-H]- 292.04762 164.2
[M+NH4]+ 311.08872 174.2
[M+K]+ 332.01806 161.5
[M+H-H2O]+ 276.05216 153.3
[M+HCOO]- 338.05310 183.8
[M+CH3COO]- 352.06875 201.9
[M+Na-2H]- 314.02957 172.7
[M]+ 293.05435 163.1
[M]- 293.05545 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.