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]+ 222.069566 145.3
[M+Na]+ 244.051508 155.1
[M-H]- 220.055014 151.1
[M+NH4]+ 239.096113 164.2
[M+K]+ 260.025448 150.8
[M+H-H2O]+ 204.059550 138.3
[M+HCOO]- 266.060491 166.4
[M+CH3COO]- 280.076141 190.3
[M+Na-2H]- 242.036956 146.9
[M]+ 221.06174142 145.9
[M]- 221.06283858 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.