CID 3052329

Urea, n-(2,6-diethylphenyl)-n'-(imino(methylamino)methyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C14H22N4O
SMILES
CCC1=C(C(=CC=C1)CC)N(C)C(=O)NC(=NC)N
InChI
InChI=1S/C14H22N4O/c1-5-10-8-7-9-11(6-2)12(10)18(4)14(19)17-13(15)16-3/h7-9H,5-6H2,1-4H3,(H3,15,16,17,19)
InChIKey
KOFDRYMAVQGTDZ-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-1-methyl-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.17935 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18663 165.7
[M+Na]+ 285.16857 173.5
[M+NH4]+ 280.21317 172.0
[M+K]+ 301.14251 168.6
[M-H]- 261.17207 169.1
[M+Na-2H]- 283.15402 170.1
[M]+ 262.17880 167.2
[M]- 262.17990 167.2
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.

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No patent data available for this compound.