CID 267546

Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3-methyl-

Structural Information

Molecular Formula
C14H30N4O2
SMILES
CC(C)(CCCCC(C)(C)NC(=O)NC)NC(=O)NC
InChI
InChI=1S/C14H30N4O2/c1-13(2,17-11(19)15-5)9-7-8-10-14(3,4)18-12(20)16-6/h7-10H2,1-6H3,(H2,15,17,19)(H2,16,18,20)
InChIKey
WGZBOMPBERTLSK-UHFFFAOYSA-N
Compound name
1-[2,7-dimethyl-7-(methylcarbamoylamino)octan-2-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.23688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24416 173.1
[M+Na]+ 309.22610 174.6
[M-H]- 285.22960 172.5
[M+NH4]+ 304.27070 187.7
[M+K]+ 325.20004 174.3
[M+H-H2O]+ 269.23414 166.5
[M+HCOO]- 331.23508 194.0
[M+CH3COO]- 345.25073 213.4
[M+Na-2H]- 307.21155 176.2
[M]+ 286.23633 172.7
[M]- 286.23743 172.7
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.