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 147.2
[M+Na]+ 258.03077 155.8
[M-H]- 234.03427 153.4
[M+NH4]+ 253.07537 164.8
[M+K]+ 274.00471 147.7
[M+H-H2O]+ 218.03881 144.6
[M+HCOO]- 280.03975 168.6
[M+CH3COO]- 294.05540 185.1
[M+Na-2H]- 256.01622 150.9
[M]+ 235.04100 146.1
[M]- 235.04210 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