CID 145855406

[n'-(adamantan-1-yl)carbamimidoyl]urea

Structural Information

Molecular Formula
C12H20N4O
SMILES
C1C2CC3CC1CC(C2)(C3)N=C(N)NC(=O)N
InChI
InChI=1S/C12H20N4O/c13-10(15-11(14)17)16-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H5,13,14,15,16,17)
InChIKey
BOLPXZLOENXAFH-UHFFFAOYSA-N
Compound name
[N'-(1-adamantyl)carbamimidoyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.16371 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.17099 148.8
[M+Na]+ 259.15293 148.8
[M-H]- 235.15643 143.8
[M+NH4]+ 254.19753 172.1
[M+K]+ 275.12687 147.4
[M+H-H2O]+ 219.16097 143.2
[M+HCOO]- 281.16191 158.9
[M+CH3COO]- 295.17756 156.5
[M+Na-2H]- 257.13838 159.3
[M]+ 236.16316 144.5
[M]- 236.16426 144.5
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.