CID 135804021

1-(4-bromophenyl)-2-(4-methyl-6-oxo-1h-pyrimidin-2-yl)guanidine

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 160.3
[M+Na]+ 344.01174 170.5
[M-H]- 320.01524 166.8
[M+NH4]+ 339.05634 174.5
[M+K]+ 359.98568 157.1
[M+H-H2O]+ 304.01978 156.4
[M+HCOO]- 366.02072 181.9
[M+CH3COO]- 380.03637 208.2
[M+Na-2H]- 341.99719 167.3
[M]+ 321.02197 175.6
[M]- 321.02307 175.6
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.