CID 136338835

Schembl2987161

Structural Information

Molecular Formula
C22H22N3O
SMILES
CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=CC3=[N+]2C4=CC=CC=C4)O
InChI
InChI=1S/C22H21N3O/c1-3-24(4-2)17-10-12-19-21(14-17)25(16-8-6-5-7-9-16)22-15-18(26)11-13-20(22)23-19/h5-15H,3-4H2,1-2H3/p+1
InChIKey
GYBUJHGZMWNLTD-UHFFFAOYSA-O
Compound name
8-(diethylamino)-10-phenylphenazin-10-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

344.1763 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18358 186.9
[M+Na]+ 367.16552 195.3
[M-H]- 343.16902 193.1
[M+NH4]+ 362.21012 198.6
[M+K]+ 383.13946 183.2
[M+H-H2O]+ 327.17356 178.3
[M+HCOO]- 389.17450 206.0
[M+CH3COO]- 403.19015 212.2
[M+Na-2H]- 365.15097 196.3
[M]+ 344.17575 188.6
[M]- 344.17685 188.6
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

No patent data available for this compound.