CID 18323043

5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H9N3O2S
SMILES
CC1=C(N=C(S1)N)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O2S/c1-6-9(12-10(11)16-6)7-3-2-4-8(5-7)13(14)15/h2-5H,1H3,(H2,11,12)
InChIKey
UCQJNHUDJFAASX-UHFFFAOYSA-N
Compound name
5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

235.04155 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.048826 147.2
[M+Na]+ 258.030768 155.8
[M-H]- 234.034274 153.4
[M+NH4]+ 253.075373 164.8
[M+K]+ 274.004708 147.7
[M+H-H2O]+ 218.038810 144.6
[M+HCOO]- 280.039751 168.6
[M+CH3COO]- 294.055401 185.1
[M+Na-2H]- 256.016216 150.9
[M]+ 235.04100142 146.1
[M]- 235.04209858 146.1
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