CID 39040

Tricyclazole

Structural Information

Molecular Formula
C9H7N3S
SMILES
CC1=C2C(=CC=C1)SC3=NN=CN23
InChI
InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
InChIKey
DQJCHOQLCLEDLL-UHFFFAOYSA-N
Compound name
8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

114
References

41160
Patents

189.03607 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04335 135.6
[M+Na]+ 212.02529 151.0
[M-H]- 188.02879 139.6
[M+NH4]+ 207.06989 158.8
[M+K]+ 227.99923 147.1
[M+H-H2O]+ 172.03333 129.9
[M+HCOO]- 234.03427 155.9
[M+CH3COO]- 248.04992 151.2
[M+Na-2H]- 210.01074 141.3
[M]+ 189.03552 142.9
[M]- 189.03662 142.9
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