CID 65733

Phenosafranin

Structural Information

Molecular Formula
C18H15N4
SMILES
C1=CC=C(C=C1)[N+]2=C3C=C(C=CC3=NC4=C2C=C(C=C4)N)N
InChI
InChI=1S/C18H14N4/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15/h1-11H,(H3,19,20)/p+1
InChIKey
GCJIBOGVEKFXNS-UHFFFAOYSA-O
Compound name
10-phenylphenazin-10-ium-2,8-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

81
References

7065
Patents

287.12967 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13695 167.6
[M+Na]+ 310.11889 177.8
[M-H]- 286.12239 173.6
[M+NH4]+ 305.16349 181.3
[M+K]+ 326.09283 164.7
[M+H-H2O]+ 270.12693 160.2
[M+HCOO]- 332.12787 189.0
[M+CH3COO]- 346.14352 178.6
[M+Na-2H]- 308.10434 179.3
[M]+ 287.12912 165.2
[M]- 287.13022 165.2
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

patents stripe