CID 24846460

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

Structural Information

Molecular Formula
C22H19ClN5O2
SMILES
CN(C)C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4O
InChI
InChI=1S/C22H18ClN5O2/c1-26(2)17-11-7-15(8-12-17)21-24-27(18-13-9-16(23)10-14-18)28(25-21)22(30)19-5-3-4-6-20(19)29/h3-14H,1-2H3/p+1
InChIKey
LELSMOHTCIVQAO-UHFFFAOYSA-O
Compound name
[3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]tetrazol-3-ium-2-yl]-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.12274 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13002 201.3
[M+Na]+ 443.11196 209.5
[M-H]- 419.11546 209.9
[M+NH4]+ 438.15656 207.3
[M+K]+ 459.08590 197.0
[M+H-H2O]+ 403.12000 191.2
[M+HCOO]- 465.12094 215.0
[M+CH3COO]- 479.13659 220.2
[M+Na-2H]- 441.09741 204.0
[M]+ 420.12219 203.5
[M]- 420.12329 203.5
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.