CID 90059

Dtxsid80945980

Structural Information

Molecular Formula
C18H17N5S
SMILES
CC1=C(SC(=N1)N2C(=NN(N2)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)22-17(15-9-5-3-6-10-15)20-23(21-22)16-11-7-4-8-12-16/h3-12,21H,1-2H3
InChIKey
FQNJPANACVTXBZ-UHFFFAOYSA-N
Compound name
2-(3,5-diphenyl-2H-tetrazol-1-yl)-4,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

695
References

2
Patents

335.12045 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12773 177.6
[M+Na]+ 358.10967 188.7
[M-H]- 334.11317 184.5
[M+NH4]+ 353.15427 188.5
[M+K]+ 374.08361 180.9
[M+H-H2O]+ 318.11771 167.8
[M+HCOO]- 380.11865 191.1
[M+CH3COO]- 394.13430 187.9
[M+Na-2H]- 356.09512 174.7
[M]+ 335.11990 178.3
[M]- 335.12100 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe