CID 357141

Pdtpt

Structural Information

Molecular Formula
C17H15N6S
SMILES
CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=NC=C4)C
InChI
InChI=1S/C17H15N6S/c1-12-13(2)24-17(19-12)23-21-16(14-8-10-18-11-9-14)20-22(23)15-6-4-3-5-7-15/h3-11H,1-2H3/q+1
InChIKey
LKOYHAYKEOVSGZ-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-(3-phenyl-5-pyridin-4-yltetrazol-2-ium-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

335.10788 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11516 177.3
[M+Na]+ 358.09710 190.6
[M-H]- 334.10060 185.3
[M+NH4]+ 353.14170 187.2
[M+K]+ 374.07104 177.8
[M+H-H2O]+ 318.10514 169.2
[M+HCOO]- 380.10608 193.3
[M+CH3COO]- 394.12173 188.4
[M+Na-2H]- 356.08255 179.5
[M]+ 335.10733 180.6
[M]- 335.10843 180.6
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

No patent data available for this compound.