CID 3071273

2,3-diphenyl-5-(1h-indol-3-yl)-2h-tetrazolium bromide

Structural Information

Molecular Formula
C21H16N5
SMILES
C1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=CC=C3)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C21H16N5/c1-3-9-16(10-4-1)25-23-21(24-26(25)17-11-5-2-6-12-17)19-15-22-20-14-8-7-13-18(19)20/h1-15,22H/q+1
InChIKey
SDLNGALVLXLFJH-UHFFFAOYSA-N
Compound name
3-(2,3-diphenyltetrazol-2-ium-5-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.14056 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14784 181.7
[M+Na]+ 361.12978 191.5
[M-H]- 337.13328 189.2
[M+NH4]+ 356.17438 191.1
[M+K]+ 377.10372 177.2
[M+H-H2O]+ 321.13782 171.8
[M+HCOO]- 383.13876 199.9
[M+CH3COO]- 397.15441 191.2
[M+Na-2H]- 359.11523 187.7
[M]+ 338.14001 180.3
[M]- 338.14111 180.3
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.