CID 2753221

1,1'-(4-methyl-1,3-phenylene)bis(3-furfurylurea)

Structural Information

Molecular Formula
C19H20N4O4
SMILES
CC1=C(C=C(C=C1)NC(=O)NCC2=CC=CO2)NC(=O)NCC3=CC=CO3
InChI
InChI=1S/C19H20N4O4/c1-13-6-7-14(22-18(24)20-11-15-4-2-8-26-15)10-17(13)23-19(25)21-12-16-5-3-9-27-16/h2-10H,11-12H2,1H3,(H2,20,22,24)(H2,21,23,25)
InChIKey
XZDGGCCZNZTTHU-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylcarbamoylamino)-4-methylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.14847 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 187.4
[M+Na]+ 391.13769 191.6
[M-H]- 367.14119 199.3
[M+NH4]+ 386.18229 198.7
[M+K]+ 407.11163 190.8
[M+H-H2O]+ 351.14573 178.5
[M+HCOO]- 413.14667 215.5
[M+CH3COO]- 427.16232 221.9
[M+Na-2H]- 389.12314 190.9
[M]+ 368.14792 190.6
[M]- 368.14902 190.6
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