CID 4429487

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

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NCC
InChI
InChI=1S/C13H20N4O2/c1-4-14-12(18)16-10-7-6-9(3)11(8-10)17-13(19)15-5-2/h6-8H,4-5H2,1-3H3,(H2,14,16,18)(H2,15,17,19)
InChIKey
KXIZTLVQHOBRKM-UHFFFAOYSA-N
Compound name
1-ethyl-3-[3-(ethylcarbamoylamino)-4-methylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.165906 162.9
[M+Na]+ 287.147848 167.2
[M-H]- 263.151354 166.5
[M+NH4]+ 282.192453 178.5
[M+K]+ 303.121788 165.4
[M+H-H2O]+ 247.155890 155.0
[M+HCOO]- 309.156831 189.0
[M+CH3COO]- 323.172481 207.7
[M+Na-2H]- 285.133296 166.2
[M]+ 264.15808142 161.8
[M]- 264.15917858 161.8
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.