CID 87967

Pinakryptol green

Structural Information

Molecular Formula
C18H15N4
SMILES
C1=CC=C(C=C1)[N+]2=C3C=C(C=C(C3=NC4=CC=CC=C42)N)N
InChI
InChI=1S/C18H14N4/c19-12-10-14(20)18-17(11-12)22(13-6-2-1-3-7-13)16-9-5-4-8-15(16)21-18/h1-11H,(H3,19,20)/p+1
InChIKey
ZOPZNWUKYCLVFO-UHFFFAOYSA-O
Compound name
5-phenylphenazin-5-ium-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

29
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

No literature data available for this compound.

Patent stripe

patents stripe