CID 5354905

36047-75-3

Structural Information

Molecular Formula
C9H7N5
SMILES
C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)N
InChI
InChI=1S/C9H7N5/c10-9-12-8-7(13-14-9)5-3-1-2-4-6(5)11-8/h1-4H,(H3,10,11,12,14)
InChIKey
ASGZIQFYJJFISO-UHFFFAOYSA-N
Compound name
5H-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

185.07014 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07742 136.5
[M+Na]+ 208.05936 148.7
[M-H]- 184.06286 136.1
[M+NH4]+ 203.10396 154.0
[M+K]+ 224.03330 142.9
[M+H-H2O]+ 168.06740 128.3
[M+HCOO]- 230.06834 156.7
[M+CH3COO]- 244.08399 149.3
[M+Na-2H]- 206.04481 146.9
[M]+ 185.06959 135.8
[M]- 185.07069 135.8
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

patents stripe