CID 3053053

As-triazine, 3-methoxy-5-(2-thienyl)-

Structural Information

Molecular Formula
C8H7N3OS
SMILES
COC1=NC(=CN=N1)C2=CC=CS2
InChI
InChI=1S/C8H7N3OS/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3
InChIKey
LKQDEJAUWKNZLA-UHFFFAOYSA-N
Compound name
3-methoxy-5-thiophen-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.03099 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.038266 136.9
[M+Na]+ 216.020208 148.0
[M-H]- 192.023714 140.8
[M+NH4]+ 211.064813 155.1
[M+K]+ 231.994148 145.0
[M+H-H2O]+ 176.028250 129.1
[M+HCOO]- 238.029191 155.6
[M+CH3COO]- 252.044841 150.7
[M+Na-2H]- 214.005656 141.3
[M]+ 193.03044142 140.4
[M]- 193.03153858 140.4
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