CID 135408605

4569-77-1

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)O)N
InChI
InChI=1S/C12H9N3O/c13-7-5-10-11(6-12(7)16)15-9-4-2-1-3-8(9)14-10/h1-6,16H,13H2
InChIKey
AJIRUIWLEVHQMU-UHFFFAOYSA-N
Compound name
3-aminophenazin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

113
Patents

211.07455 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 143.3
[M+Na]+ 234.06377 154.9
[M-H]- 210.06727 145.4
[M+NH4]+ 229.10837 160.8
[M+K]+ 250.03771 149.2
[M+H-H2O]+ 194.07181 135.6
[M+HCOO]- 256.07275 164.4
[M+CH3COO]- 270.08840 156.2
[M+Na-2H]- 232.04922 154.3
[M]+ 211.07400 143.4
[M]- 211.07510 143.4
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