CID 135906625

2h-tetrazolium, 3-(4-bromophenyl)-2-(2-hydroxybenzoyl)-5-(2-hydroxyphenyl)-, iodide

Structural Information

Molecular Formula
C20H14BrN4O3
SMILES
C1=CC=C(C(=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4O)O
InChI
InChI=1S/C20H13BrN4O3/c21-13-9-11-14(12-10-13)24-22-19(15-5-1-3-7-17(15)26)23-25(24)20(28)16-6-2-4-8-18(16)27/h1-12H,(H-,22,23,26,27,28)/p+1
InChIKey
DYHZTPRIVPQWCS-UHFFFAOYSA-O
Compound name
[3-(4-bromophenyl)-5-(2-hydroxyphenyl)tetrazol-3-ium-2-yl]-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.02493 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.03221 195.4
[M+Na]+ 460.01415 206.1
[M-H]- 436.01765 204.4
[M+NH4]+ 455.05875 203.2
[M+K]+ 475.98809 187.7
[M+H-H2O]+ 420.02219 193.8
[M+HCOO]- 482.02313 209.7
[M+CH3COO]- 496.03878 211.1
[M+Na-2H]- 457.99960 200.0
[M]+ 437.02438 212.6
[M]- 437.02548 212.6
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.