CID 360485

Nsc622619

Structural Information

Molecular Formula
C12H20N4O2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)NNC(=O)N
InChI
InChI=1S/C12H20N4O2/c13-10(17)15-16-11(18)14-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H3,13,15,17)(H2,14,16,18)
InChIKey
IWFGIKJYJFKJHB-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-(carbamoylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 149.7
[M+Na]+ 275.14785 149.3
[M-H]- 251.15135 143.8
[M+NH4]+ 270.19245 172.0
[M+K]+ 291.12179 148.2
[M+H-H2O]+ 235.15589 144.4
[M+HCOO]- 297.15683 159.2
[M+CH3COO]- 311.17248 157.0
[M+Na-2H]- 273.13330 161.3
[M]+ 252.15808 146.2
[M]- 252.15918 146.2
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.