CID 204269

16018-70-5

Structural Information

Molecular Formula
C13H13IN4O
SMILES
CC1=CC(=NC(=N1)NC(=O)NC2=CC=C(C=C2)I)C
InChI
InChI=1S/C13H13IN4O/c1-8-7-9(2)16-12(15-8)18-13(19)17-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H2,15,16,17,18,19)
InChIKey
CKRXIJJKGQHVIW-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)-3-(4-iodophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0134 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02068 170.2
[M+Na]+ 391.00262 170.9
[M-H]- 367.00612 167.6
[M+NH4]+ 386.04722 179.1
[M+K]+ 406.97656 172.8
[M+H-H2O]+ 351.01066 157.3
[M+HCOO]- 413.01160 188.2
[M+CH3COO]- 427.02725 208.7
[M+Na-2H]- 388.98807 163.9
[M]+ 368.01285 167.0
[M]- 368.01395 167.0
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.