CID 135804029

1-(4-hydroxy-6-methyl-2-pyrimidinyl)-3-(p-iodophenyl)guanidine

Structural Information

Molecular Formula
C12H12IN5O
SMILES
CC1=CC(=O)NC(=N1)/N=C(/N)\NC2=CC=C(C=C2)I
InChI
InChI=1S/C12H12IN5O/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
JQOLBJQXFJUIAZ-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.00867 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.01595 172.4
[M+Na]+ 391.99789 172.9
[M-H]- 368.00139 169.5
[M+NH4]+ 387.04249 180.6
[M+K]+ 407.97183 174.1
[M+H-H2O]+ 352.00593 159.3
[M+HCOO]- 414.00687 191.1
[M+CH3COO]- 428.02252 209.7
[M+Na-2H]- 389.98334 165.7
[M]+ 369.00812 166.5
[M]- 369.00922 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

No patent data available for this compound.