CID 3006762

Chembl87185

Structural Information

Molecular Formula
C15H10N4O2
SMILES
COC1=CC2=C(C=C1)N3C(=C2N=O)C4=CC=CC=C4N=N3
InChI
InChI=1S/C15H10N4O2/c1-21-9-6-7-13-11(8-9)14(17-20)15-10-4-2-3-5-12(10)16-18-19(13)15/h2-8H,1H3
InChIKey
KUEZKLFAEMVDSJ-UHFFFAOYSA-N
Compound name
10-methoxy-12-nitrosoindolo[1,2-c][1,2,3]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.08038 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08766 159.8
[M+Na]+ 301.06960 173.8
[M-H]- 277.07310 165.3
[M+NH4]+ 296.11420 177.5
[M+K]+ 317.04354 168.7
[M+H-H2O]+ 261.07764 150.3
[M+HCOO]- 323.07858 184.2
[M+CH3COO]- 337.09423 173.6
[M+Na-2H]- 299.05505 171.0
[M]+ 278.07983 167.9
[M]- 278.08093 167.9
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.