CID 44249597

1048007-94-8

Structural Information

Molecular Formula
C15H12N4O2S
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=CS2)C3=CN=CC=C3
InChI
InChI=1S/C15H12N4O2S/c1-10-4-5-12(19(20)21)7-13(10)17-15-18-14(9-22-15)11-3-2-6-16-8-11/h2-9H,1H3,(H,17,18)
InChIKey
SDDODIFTQFSODB-UHFFFAOYSA-N
Compound name
N-(2-methyl-5-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

312.06808 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07536 165.3
[M+Na]+ 335.05730 180.1
[M+NH4]+ 330.10190 173.5
[M+K]+ 351.03124 175.2
[M-H]- 311.06080 172.5
[M+Na-2H]- 333.04275 175.4
[M]+ 312.06753 169.8
[M]- 312.06863 169.8
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