CID 53445875

102568-47-8

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

21
Patents

277.13275 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14003 167.8
[M+Na]+ 300.12197 182.1
[M+NH4]+ 295.16657 171.4
[M+K]+ 316.09591 173.2
[M-H]- 276.12547 163.9
[M+Na-2H]- 298.10742 173.5
[M]+ 277.13220 168.0
[M]- 277.13330 168.0
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