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

26
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 167.1
[M+Na]+ 335.05730 174.6
[M-H]- 311.06080 175.3
[M+NH4]+ 330.10190 179.9
[M+K]+ 351.03124 164.9
[M+H-H2O]+ 295.06534 162.2
[M+HCOO]- 357.06628 187.6
[M+CH3COO]- 371.08193 199.6
[M+Na-2H]- 333.04275 172.2
[M]+ 312.06753 166.5
[M]- 312.06863 166.5
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