CID 3010154

N-(1-adamantyl)-n'-(4-chlorophenyl)urea

Structural Information

Molecular Formula
C17H21ClN2O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H21ClN2O/c18-14-1-3-15(4-2-14)19-16(21)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,19,20,21)
InChIKey
BANILFSZVAQDHJ-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.13425 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14153 165.4
[M+Na]+ 327.12347 175.8
[M+NH4]+ 322.16807 178.4
[M+K]+ 343.09741 164.8
[M-H]- 303.12697 166.8
[M+Na-2H]- 325.10892 165.5
[M]+ 304.13370 167.6
[M]- 304.13480 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.