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]+ 291.181576 171.1
[M+Na]+ 313.163518 174.1
[M-H]- 289.167024 178.8
[M+NH4]+ 308.208123 186.0
[M+K]+ 329.137458 172.9
[M+H-H2O]+ 273.171560 162.5
[M+HCOO]- 335.172501 195.8
[M+CH3COO]- 349.188151 212.0
[M+Na-2H]- 311.148966 172.3
[M]+ 290.17375142 167.7
[M]- 290.17484858 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.