CID 3049555

Urea, n-(2,6-bis(1-methylethyl)phenyl)-n'-(imino(methylamino)methyl)-, butanedioate (1:1)

Structural Information

Molecular Formula
C15H24N4O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC(=NC)N
InChI
InChI=1S/C15H24N4O/c1-9(2)11-7-6-8-12(10(3)4)13(11)18-15(20)19-14(16)17-5/h6-10H,1-5H3,(H4,16,17,18,19,20)
InChIKey
FGCQWDAJWJDRIS-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.195 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.202276 171.2
[M+Na]+ 299.184218 174.6
[M-H]- 275.187724 175.5
[M+NH4]+ 294.228823 186.7
[M+K]+ 315.158158 173.5
[M+H-H2O]+ 259.192260 163.2
[M+HCOO]- 321.193201 195.2
[M+CH3COO]- 335.208851 215.2
[M+Na-2H]- 297.169666 170.2
[M]+ 276.19445142 169.0
[M]- 276.19554858 169.0
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.