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]+ 249.07709 151.2
[M+Na]+ 271.05903 165.0
[M-H]- 247.06253 156.5
[M+NH4]+ 266.10363 169.9
[M+K]+ 287.03297 159.4
[M+H-H2O]+ 231.06707 141.8
[M+HCOO]- 293.06801 175.9
[M+CH3COO]- 307.08366 165.3
[M+Na-2H]- 269.04448 163.6
[M]+ 248.06926 157.2
[M]- 248.07036 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.