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

22
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 164.3
[M+Na]+ 300.12197 174.7
[M-H]- 276.12547 165.3
[M+NH4]+ 295.16657 174.0
[M+K]+ 316.09591 166.9
[M+H-H2O]+ 260.13001 146.5
[M+HCOO]- 322.13095 177.8
[M+CH3COO]- 336.14660 172.7
[M+Na-2H]- 298.10742 165.7
[M]+ 277.13220 156.8
[M]- 277.13330 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