CID 136069922

149057-64-7

Structural Information

Molecular Formula
C21H20N3O
SMILES
CC1=CC2=NC3=C(C=C(C=C3)N(C)C)[N+](=C2C=C1O)C4=CC=CC=C4
InChI
InChI=1S/C21H19N3O/c1-14-11-18-20(13-21(14)25)24(15-7-5-4-6-8-15)19-12-16(23(2)3)9-10-17(19)22-18/h4-13H,1-3H3/p+1
InChIKey
WTNYMGQRSGVOSN-UHFFFAOYSA-O
Compound name
8-(dimethylamino)-3-methyl-10-phenylphenazin-10-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

330.16064 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16792 182.9
[M+Na]+ 353.14986 192.7
[M-H]- 329.15336 189.7
[M+NH4]+ 348.19446 195.6
[M+K]+ 369.12380 180.9
[M+H-H2O]+ 313.15790 174.7
[M+HCOO]- 375.15884 202.3
[M+CH3COO]- 389.17449 210.5
[M+Na-2H]- 351.13531 192.1
[M]+ 330.16009 184.7
[M]- 330.16119 184.7
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