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

2
Patents

263.17462 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.18190 164.5
[M+Na]+ 286.16384 169.5
[M-H]- 262.16734 168.9
[M+NH4]+ 281.20844 180.3
[M+K]+ 302.13778 167.5
[M+H-H2O]+ 246.17188 156.4
[M+HCOO]- 308.17282 191.5
[M+CH3COO]- 322.18847 213.5
[M+Na-2H]- 284.14929 165.6
[M]+ 263.17407 161.5
[M]- 263.17517 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