CID 24846462

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

Structural Information

Molecular Formula
C20H14ClN4O3
SMILES
C1=CC=C(C(=C1)C(=O)N2N=C(N=[N+]2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)O)O
InChI
InChI=1S/C20H13ClN4O3/c21-14-8-10-15(11-9-14)24-22-19(13-4-3-5-16(26)12-13)23-25(24)20(28)17-6-1-2-7-18(17)27/h1-12H,(H-,26,27,28)/p+1
InChIKey
ASMXXPFKQDKBDF-UHFFFAOYSA-O
Compound name
[3-(4-chlorophenyl)-5-(3-hydroxyphenyl)tetrazol-3-ium-2-yl]-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.07544 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08272 192.7
[M+Na]+ 416.06466 201.9
[M-H]- 392.06816 199.0
[M+NH4]+ 411.10926 198.7
[M+K]+ 432.03860 188.5
[M+H-H2O]+ 376.07270 183.6
[M+HCOO]- 438.07364 204.2
[M+CH3COO]- 452.08929 206.4
[M+Na-2H]- 414.05011 195.9
[M]+ 393.07489 193.2
[M]- 393.07599 193.2
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.