CID 15375068

845264-84-8

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC(=CC=C1N)NC2=NC=CS2
InChI
InChI=1S/C9H9N3S/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-6H,10H2,(H,11,12)
InChIKey
MFFLBPXRTWQHAP-UHFFFAOYSA-N
Compound name
4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

191.05171 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.058986 136.4
[M+Na]+ 214.040928 145.2
[M-H]- 190.044434 142.1
[M+NH4]+ 209.085533 156.3
[M+K]+ 230.014868 141.0
[M+H-H2O]+ 174.048970 129.3
[M+HCOO]- 236.049911 158.3
[M+CH3COO]- 250.065561 149.9
[M+Na-2H]- 212.026376 140.9
[M]+ 191.05116142 135.5
[M]- 191.05225858 135.5
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

patents stripe