CID 23025255

3-(4-nitrophenyl)-5-methyl-2-phenyltetrazolium chloride

Structural Information

Molecular Formula
C14H13N5O2
SMILES
CC1=NN(N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C14H13N5O2/c1-11-15-17(12-5-3-2-4-6-12)18(16-11)13-7-9-14(10-8-13)19(20)21/h2-10H,1H3,(H,15,16)
InChIKey
LHPAWRQUFIDLAT-UHFFFAOYSA-N
Compound name
5-methyl-2-(4-nitrophenyl)-3-phenyl-1H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

283.10693 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11421 162.6
[M+Na]+ 306.09615 169.7
[M-H]- 282.09965 166.6
[M+NH4]+ 301.14075 172.7
[M+K]+ 322.07009 160.0
[M+H-H2O]+ 266.10419 156.3
[M+HCOO]- 328.10513 181.8
[M+CH3COO]- 342.12078 191.6
[M+Na-2H]- 304.08160 169.0
[M]+ 283.10638 158.2
[M]- 283.10748 158.2
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

patents stripe