CID 9588904

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

Structural Information

Molecular Formula
C15H17BrN4S
SMILES
CC1=CC(=NC(=N1)SC(C)C)N/N=C/C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H17BrN4S/c1-10(2)21-15-18-11(3)8-14(19-15)20-17-9-12-4-6-13(16)7-5-12/h4-10H,1-3H3,(H,18,19,20)/b17-9+
InChIKey
ZVJQFPLSMCKJAX-RQZCQDPDSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.03574 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04302 164.8
[M+Na]+ 387.02496 175.9
[M-H]- 363.02846 172.8
[M+NH4]+ 382.06956 179.7
[M+K]+ 402.99890 162.0
[M+H-H2O]+ 347.03300 161.7
[M+HCOO]- 409.03394 181.6
[M+CH3COO]- 423.04959 217.0
[M+Na-2H]- 385.01041 169.8
[M]+ 364.03519 186.1
[M]- 364.03629 186.1
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

No patent data available for this compound.