CID 2461921

Akos001094755

Structural Information

Molecular Formula
C11H11BrN4OS
SMILES
CCNC(=S)N=NC1=C(NC2=C1C=C(C=C2)Br)O
InChI
InChI=1S/C11H11BrN4OS/c1-2-13-11(18)16-15-9-7-5-6(12)3-4-8(7)14-10(9)17/h3-5,14,17H,2H2,1H3,(H,13,18)
InChIKey
SJFMEXFARIIHGS-UHFFFAOYSA-N
Compound name
1-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.9837 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.99098 154.6
[M+Na]+ 348.97292 167.2
[M-H]- 324.97642 161.4
[M+NH4]+ 344.01752 174.3
[M+K]+ 364.94686 153.5
[M+H-H2O]+ 308.98096 152.9
[M+HCOO]- 370.98190 174.2
[M+CH3COO]- 384.99755 207.2
[M+Na-2H]- 346.95837 160.7
[M]+ 325.98315 175.5
[M]- 325.98425 175.5
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.