CID 3045131

Thiazole, 2,4-diamino-5-(p-methoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C10H11N3OS
SMILES
COC1=CC=C(C=C1)C2=C(N=C(S2)N)N
InChI
InChI=1S/C10H11N3OS/c1-14-7-4-2-6(3-5-7)8-9(11)13-10(12)15-8/h2-5H,11H2,1H3,(H2,12,13)
InChIKey
MQIYZKCBLKVWGS-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1,3-thiazole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06957 145.3
[M+Na]+ 244.05151 155.1
[M-H]- 220.05501 151.1
[M+NH4]+ 239.09611 164.2
[M+K]+ 260.02545 150.8
[M+H-H2O]+ 204.05955 138.3
[M+HCOO]- 266.06049 166.4
[M+CH3COO]- 280.07614 190.3
[M+Na-2H]- 242.03696 146.9
[M]+ 221.06174 145.9
[M]- 221.06284 145.9
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.