CID 3006764

Chembl86345

Structural Information

Molecular Formula
C15H10N4O
SMILES
CC1=CC2=C(C=C1)N=NN3C2=C(C4=CC=CC=C43)N=O
InChI
InChI=1S/C15H10N4O/c1-9-6-7-12-11(8-9)15-14(17-20)10-4-2-3-5-13(10)19(15)18-16-12/h2-8H,1H3
InChIKey
NDGZLZBSZHCSCK-UHFFFAOYSA-N
Compound name
2-methyl-12-nitrosoindolo[1,2-c][1,2,3]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.08545 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09273 157.0
[M+Na]+ 285.07467 171.3
[M-H]- 261.07817 162.5
[M+NH4]+ 280.11927 175.5
[M+K]+ 301.04861 165.4
[M+H-H2O]+ 245.08271 147.7
[M+HCOO]- 307.08365 181.3
[M+CH3COO]- 321.09930 170.9
[M+Na-2H]- 283.06012 168.1
[M]+ 262.08490 163.7
[M]- 262.08600 163.7
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.