CID 99644

20575-76-2

Structural Information

Molecular Formula
C12H26N4O2
SMILES
CN(C)C(=O)NCCCCCCNC(=O)N(C)C
InChI
InChI=1S/C12H26N4O2/c1-15(2)11(17)13-9-7-5-6-8-10-14-12(18)16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKey
JZGGZNWADMJJCC-UHFFFAOYSA-N
Compound name
3-[6-(dimethylcarbamoylamino)hexyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

258.20557 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.21285 167.5
[M+Na]+ 281.19479 169.5
[M-H]- 257.19829 169.8
[M+NH4]+ 276.23939 184.4
[M+K]+ 297.16873 171.4
[M+H-H2O]+ 241.20283 159.5
[M+HCOO]- 303.20377 193.2
[M+CH3COO]- 317.21942 213.4
[M+Na-2H]- 279.18024 168.2
[M]+ 258.20502 170.1
[M]- 258.20612 170.1
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