CID 3052273

Urea, n-(2,6-dimethylphenyl)-n'-(imino((2-methylpropyl)amino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H22N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC(=NCC(C)C)N
InChI
InChI=1S/C14H22N4O/c1-9(2)8-16-13(15)18-14(19)17-12-10(3)6-5-7-11(12)4/h5-7,9H,8H2,1-4H3,(H4,15,16,17,18,19)
InChIKey
OPLIOLKCIQKRLS-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[N'-(2-methylpropyl)carbamimidoyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

262.17935 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18663 166.0
[M+Na]+ 285.16857 170.1
[M-H]- 261.17207 170.4
[M+NH4]+ 280.21317 182.2
[M+K]+ 301.14251 168.7
[M+H-H2O]+ 245.17661 158.1
[M+HCOO]- 307.17755 191.4
[M+CH3COO]- 321.19320 211.2
[M+Na-2H]- 283.15402 166.8
[M]+ 262.17880 164.1
[M]- 262.17990 164.1
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

patents stripe