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

40
Patents

283.10693 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.114206 162.6
[M+Na]+ 306.096148 169.7
[M-H]- 282.099654 166.6
[M+NH4]+ 301.140753 172.7
[M+K]+ 322.070088 160.0
[M+H-H2O]+ 266.104190 156.3
[M+HCOO]- 328.105131 181.8
[M+CH3COO]- 342.120781 191.6
[M+Na-2H]- 304.081596 169.0
[M]+ 283.10638142 158.2
[M]- 283.10747858 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