CID 3000822

210487-34-6

Structural Information

Molecular Formula
C12H11BrN4OS
SMILES
C=CCNC(=S)N=NC1=C(NC2=C1C=C(C=C2)Br)O
InChI
InChI=1S/C12H11BrN4OS/c1-2-5-14-12(19)17-16-10-8-6-7(13)3-4-9(8)15-11(10)18/h2-4,6,15,18H,1,5H2,(H,14,19)
InChIKey
VJDPUJNQHFLJTA-UHFFFAOYSA-N
Compound name
1-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.9837 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.99098 158.2
[M+Na]+ 360.97292 170.6
[M-H]- 336.97642 164.7
[M+NH4]+ 356.01752 177.2
[M+K]+ 376.94686 156.1
[M+H-H2O]+ 320.98096 156.3
[M+HCOO]- 382.98190 177.5
[M+CH3COO]- 396.99755 209.3
[M+Na-2H]- 358.95837 163.8
[M]+ 337.98315 178.6
[M]- 337.98425 178.6
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.