CID 9570320

Brn 0810584

Structural Information

Molecular Formula
C13H14IN5
SMILES
CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)I)C
InChI
InChI=1S/C13H14IN5/c1-8-7-9(2)17-13(16-8)19-12(15)18-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H3,15,16,17,18,19)
InChIKey
FXESJLQSZQXLQR-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-iodophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0294 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03668 172.8
[M+Na]+ 390.01862 173.3
[M-H]- 366.02212 171.0
[M+NH4]+ 385.06322 181.9
[M+K]+ 405.99256 175.0
[M+H-H2O]+ 350.02666 159.5
[M+HCOO]- 412.02760 192.3
[M+CH3COO]- 426.04325 213.3
[M+Na-2H]- 388.00407 166.2
[M]+ 367.02885 168.4
[M]- 367.02995 168.4
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.