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]+ 236.04883 146.3
[M+Na]+ 258.03077 159.1
[M+NH4]+ 253.07537 154.8
[M+K]+ 274.00471 155.7
[M-H]- 234.03427 151.5
[M+Na-2H]- 256.01622 153.3
[M]+ 235.04100 149.8
[M]- 235.04210 149.8
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