CID 2190510

Poloxipan

Structural Information

Molecular Formula
C14H10BrN3O3S
SMILES
CC1=NN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC)/SC2=NC1=O
InChI
InChI=1S/C14H10BrN3O3S/c1-7-12(19)16-14-18(17-7)13(20)11(22-14)6-8-5-9(15)3-4-10(8)21-2/h3-6H,1-2H3/b11-6-
InChIKey
UEMYVTYHECWXSR-WDZFZDKYSA-N
Compound name
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

378.96262 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.96990 168.9
[M+Na]+ 401.95184 175.3
[M+NH4]+ 396.99644 172.2
[M+K]+ 417.92578 174.5
[M-H]- 377.95534 169.6
[M+Na-2H]- 399.93729 172.4
[M]+ 378.96207 169.3
[M]- 378.96317 169.3
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