CID 3050643

Urea, n-(4-amino-2,6-diethylphenyl)-n'-(imino(methylamino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C13H21N5O
SMILES
CCC1=CC(=CC(=C1NC(=O)NC(=NC)N)CC)N
InChI
InChI=1S/C13H21N5O/c1-4-8-6-10(14)7-9(5-2)11(8)17-13(19)18-12(15)16-3/h6-7H,4-5,14H2,1-3H3,(H4,15,16,17,18,19)
InChIKey
KUCJFIIKNODRGD-UHFFFAOYSA-N
Compound name
1-(4-amino-2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.17462 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.181896 164.5
[M+Na]+ 286.163838 169.5
[M-H]- 262.167344 168.9
[M+NH4]+ 281.208443 180.3
[M+K]+ 302.137778 167.5
[M+H-H2O]+ 246.171880 156.4
[M+HCOO]- 308.172821 191.5
[M+CH3COO]- 322.188471 213.5
[M+Na-2H]- 284.149286 165.6
[M]+ 263.17407142 161.5
[M]- 263.17516858 161.5
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