CID 78327

Indoine blue

Structural Information

Molecular Formula
C30H24N5O
SMILES
CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N=NC4=C(C=CC5=CC=CC=C54)O)C6=CC=CC=C6
InChI
InChI=1S/C30H23N5O/c1-18-14-25-27(16-23(18)31)35(21-9-4-3-5-10-21)28-17-24(19(2)15-26(28)32-25)33-34-30-22-11-7-6-8-20(22)12-13-29(30)36/h3-17H,1-2H3,(H2,31,33,36)/p+1
InChIKey
HRLSPYMPNUYHEF-UHFFFAOYSA-O
Compound name
1-[(8-amino-3,7-dimethyl-10-phenylphenazin-10-ium-2-yl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3069
Patents

470.1981 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20538 222.0
[M+Na]+ 493.18732 231.2
[M-H]- 469.19082 232.9
[M+NH4]+ 488.23192 228.9
[M+K]+ 509.16126 217.0
[M+H-H2O]+ 453.19536 209.7
[M+HCOO]- 515.19630 241.9
[M+CH3COO]- 529.21195 229.5
[M+Na-2H]- 491.17277 231.2
[M]+ 470.19755 223.0
[M]- 470.19865 223.0
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