CID 431667

Nsc295588

Structural Information

Molecular Formula
C19H32N2O
SMILES
CCN=C(CC(=O)C12CC3CC(C1)CC(C3)C2)N(CC)CC
InChI
InChI=1S/C19H32N2O/c1-4-20-18(21(5-2)6-3)10-17(22)19-11-14-7-15(12-19)9-16(8-14)13-19/h14-16H,4-13H2,1-3H3
InChIKey
STSASRLOIHAXCI-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)-N,N,N'-triethyl-3-oxopropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.25146 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.25874 178.4
[M+Na]+ 327.24068 176.3
[M-H]- 303.24418 174.3
[M+NH4]+ 322.28528 200.4
[M+K]+ 343.21462 174.3
[M+H-H2O]+ 287.24872 171.0
[M+HCOO]- 349.24966 185.3
[M+CH3COO]- 363.26531 223.9
[M+Na-2H]- 325.22613 184.3
[M]+ 304.25091 179.7
[M]- 304.25201 179.7
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

No patent data available for this compound.