CID 3006760

12-nitrosoindolo[1,2-c][1,2,3]benzotriazine

Structural Information

Molecular Formula
C14H8N4O
SMILES
C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4N3N=N2)N=O
InChI
InChI=1S/C14H8N4O/c19-16-13-10-6-2-4-8-12(10)18-14(13)9-5-1-3-7-11(9)15-17-18/h1-8H
InChIKey
QIRRYGQTPQBVIV-UHFFFAOYSA-N
Compound name
12-nitrosoindolo[1,2-c][1,2,3]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.06981 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.077086 151.2
[M+Na]+ 271.059028 165.0
[M-H]- 247.062534 156.5
[M+NH4]+ 266.103633 169.9
[M+K]+ 287.032968 159.4
[M+H-H2O]+ 231.067070 141.8
[M+HCOO]- 293.068011 175.9
[M+CH3COO]- 307.083661 165.3
[M+Na-2H]- 269.044476 163.6
[M]+ 248.06926142 157.2
[M]- 248.07035858 157.2
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.