CID 64291

33021-99-7

Structural Information

Molecular Formula
C16H26ClN3O2
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)N(CCCl)N=O)C)C
InChI
InChI=1S/C16H26ClN3O2/c1-13-6-14(2)8-15(3,7-13)11-16(9-13,10-14)18-12(21)20(19-22)5-4-17/h4-11H2,1-3H3,(H,18,21)
InChIKey
RVKXSUCLMXKRLW-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.17136 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17864 173.2
[M+Na]+ 350.16058 176.8
[M-H]- 326.16408 170.4
[M+NH4]+ 345.20518 200.7
[M+K]+ 366.13452 174.0
[M+H-H2O]+ 310.16862 167.3
[M+HCOO]- 372.16956 179.2
[M+CH3COO]- 386.18521 223.9
[M+Na-2H]- 348.14603 185.5
[M]+ 327.17081 178.8
[M]- 327.17191 178.8
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.