CID 53445875

5-cyano-2,3-ditolyltetrazolium

Structural Information

Molecular Formula
C16H15N5
SMILES
CC1=CC=CC=C1N2NC(=NN2C3=CC=CC=C3C)C#N
InChI
InChI=1S/C16H15N5/c1-12-7-3-5-9-14(12)20-18-16(11-17)19-21(20)15-10-6-4-8-13(15)2/h3-10H,1-2H3,(H,18,19)
InChIKey
LDICDPFUGWPYED-UHFFFAOYSA-N
Compound name
2,3-bis(2-methylphenyl)-1H-tetrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

54
References

25
Patents

277.13275 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.140026 164.3
[M+Na]+ 300.121968 174.7
[M-H]- 276.125474 165.3
[M+NH4]+ 295.166573 174.0
[M+K]+ 316.095908 166.9
[M+H-H2O]+ 260.130010 146.5
[M+HCOO]- 322.130951 177.8
[M+CH3COO]- 336.146601 172.7
[M+Na-2H]- 298.107416 165.7
[M]+ 277.13220142 156.8
[M]- 277.13329858 156.8
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