CID 103748

53151-84-1

Structural Information

Molecular Formula
C11H9N5S
SMILES
C1=CC=C2C(=C1)C(=NC2=N)C3=C(N=C(S3)N)N
InChI
InChI=1S/C11H9N5S/c12-9-6-4-2-1-3-5(6)7(15-9)8-10(13)16-11(14)17-8/h1-4,12H,13H2,(H2,14,16)
InChIKey
DQPSHNYDEMTVTC-UHFFFAOYSA-N
Compound name
5-(3-iminoisoindol-1-yl)-1,3-thiazole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

243.05786 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.065136 149.2
[M+Na]+ 266.047078 160.7
[M-H]- 242.050584 155.6
[M+NH4]+ 261.091683 168.7
[M+K]+ 282.021018 155.1
[M+H-H2O]+ 226.055120 142.6
[M+HCOO]- 288.056061 170.7
[M+CH3COO]- 302.071711 162.5
[M+Na-2H]- 264.032526 151.3
[M]+ 243.05731142 148.8
[M]- 243.05840858 148.8
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