CID 307042

1,1,3-tricyclohexylurea

Structural Information

Molecular Formula
C19H34N2O
SMILES
C1CCC(CC1)NC(=O)N(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C19H34N2O/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2,(H,20,22)
InChIKey
PHTFNJXAYDMZED-UHFFFAOYSA-N
Compound name
1,1,3-tricyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

306.26712 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.27440 176.8
[M+Na]+ 329.25634 171.5
[M-H]- 305.25984 183.3
[M+NH4]+ 324.30094 189.5
[M+K]+ 345.23028 169.5
[M+H-H2O]+ 289.26438 166.9
[M+HCOO]- 351.26532 189.5
[M+CH3COO]- 365.28097 210.3
[M+Na-2H]- 327.24179 174.4
[M]+ 306.26657 161.7
[M]- 306.26767 161.7
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

patents stripe