CID 24846466

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

Structural Information

Molecular Formula
C22H18ClN4O4
SMILES
COC1=C(C=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4O)OC
InChI
InChI=1S/C22H17ClN4O4/c1-30-19-12-7-14(13-20(19)31-2)21-24-26(16-10-8-15(23)9-11-16)27(25-21)22(29)17-5-3-4-6-18(17)28/h3-13H,1-2H3/p+1
InChIKey
BZHHKAVRZJMBEV-UHFFFAOYSA-O
Compound name
[3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)tetrazol-3-ium-2-yl]-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.10165 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.10893 204.8
[M+Na]+ 460.09087 214.0
[M-H]- 436.09437 212.4
[M+NH4]+ 455.13547 209.8
[M+K]+ 476.06481 201.8
[M+H-H2O]+ 420.09891 194.9
[M+HCOO]- 482.09985 217.1
[M+CH3COO]- 496.11550 217.6
[M+Na-2H]- 458.07632 206.7
[M]+ 437.10110 209.2
[M]- 437.10220 209.2
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.