CID 9570158

Brn 0559796

Structural Information

Molecular Formula
C11H15BrN4OS2
SMILES
CC1=NSC(=C1Br)/C(=N/NC(=S)N2CCOCC2)/C
InChI
InChI=1S/C11H15BrN4OS2/c1-7-9(12)10(19-15-7)8(2)13-14-11(18)16-3-5-17-6-4-16/h3-6H2,1-2H3,(H,14,18)/b13-8+
InChIKey
YMWWKSUERDCAHJ-MDWZMJQESA-N
Compound name
N-[(E)-1-(4-bromo-3-methyl-1,2-thiazol-5-yl)ethylideneamino]morpholine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.98706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.99434 158.0
[M+Na]+ 384.97628 168.2
[M-H]- 360.97978 166.1
[M+NH4]+ 380.02088 173.8
[M+K]+ 400.95022 156.3
[M+H-H2O]+ 344.98432 156.8
[M+HCOO]- 406.98526 166.8
[M+CH3COO]- 421.00091 210.6
[M+Na-2H]- 382.96173 159.3
[M]+ 361.98651 175.9
[M]- 361.98761 175.9
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.