CID 9588905

4-nitrobenzaldehyde (6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)hydrazone

Structural Information

Molecular Formula
C15H17N5O2S
SMILES
CC1=CC(=NC(=N1)SC(C)C)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H17N5O2S/c1-10(2)23-15-17-11(3)8-14(18-15)19-16-9-12-4-6-13(7-5-12)20(21)22/h4-10H,1-3H3,(H,17,18,19)/b16-9+
InChIKey
ADDKDMCBFAYPBV-CXUHLZMHSA-N
Compound name
6-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]-2-propan-2-ylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1103 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11758 171.6
[M+Na]+ 354.09952 184.4
[M+NH4]+ 349.14412 178.3
[M+K]+ 370.07346 178.5
[M-H]- 330.10302 177.2
[M+Na-2H]- 352.08497 179.4
[M]+ 331.10975 175.2
[M]- 331.11085 175.2
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

No patent data available for this compound.