CID 135804021

16018-56-7

Structural Information

Molecular Formula
C12H12BrN5O
SMILES
CC1=CC(=O)NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H12BrN5O/c1-7-6-10(19)17-12(15-7)18-11(14)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H4,14,15,16,17,18,19)
InChIKey
SYTSHEDGCRKJGS-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.02252 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.02980 163.3
[M+Na]+ 344.01174 165.9
[M+NH4]+ 339.05634 166.0
[M+K]+ 359.98568 166.2
[M-H]- 320.01524 165.3
[M+Na-2H]- 341.99719 167.6
[M]+ 321.02197 162.8
[M]- 321.02307 162.8
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

No patent data available for this compound.