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]+ 277.20228 171.2
[M+Na]+ 299.18422 174.6
[M-H]- 275.18772 175.5
[M+NH4]+ 294.22882 186.7
[M+K]+ 315.15816 173.5
[M+H-H2O]+ 259.19226 163.2
[M+HCOO]- 321.19320 195.2
[M+CH3COO]- 335.20885 215.2
[M+Na-2H]- 297.16967 170.2
[M]+ 276.19445 169.0
[M]- 276.19555 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.