CID 3052281

Urea, 1-(tetrahydro-furfuryl)amidino-3-(2,6-xylyl)-, hydrochloride

Structural Information

Molecular Formula
C15H22N4O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC(=NCC2CCCO2)N
InChI
InChI=1S/C15H22N4O2/c1-10-5-3-6-11(2)13(10)18-15(20)19-14(16)17-9-12-7-4-8-21-12/h3,5-6,12H,4,7-9H2,1-2H3,(H4,16,17,18,19,20)
InChIKey
OHVLWRNMCRNPDB-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[N'-(oxolan-2-ylmethyl)carbamimidoyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18158 171.1
[M+Na]+ 313.16352 174.1
[M-H]- 289.16702 178.8
[M+NH4]+ 308.20812 186.0
[M+K]+ 329.13746 172.9
[M+H-H2O]+ 273.17156 162.5
[M+HCOO]- 335.17250 195.8
[M+CH3COO]- 349.18815 212.0
[M+Na-2H]- 311.14897 172.3
[M]+ 290.17375 167.7
[M]- 290.17485 167.7
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.