CID 371835

Nsc646351

Structural Information

Molecular Formula
C18H29FN2O3
SMILES
CC(C)CC(C(=O)OC)NC(=O)NC12CC3CC(C1)CC(C3)(C2)F
InChI
InChI=1S/C18H29FN2O3/c1-11(2)4-14(15(22)24-3)20-16(23)21-18-8-12-5-13(9-18)7-17(19,6-12)10-18/h11-14H,4-10H2,1-3H3,(H2,20,21,23)
InChIKey
LMQXSZAJSYJZAY-UHFFFAOYSA-N
Compound name
methyl 2-[(3-fluoro-1-adamantyl)carbamoylamino]-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.21622 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22350 184.0
[M+Na]+ 363.20544 182.7
[M-H]- 339.20894 176.2
[M+NH4]+ 358.25004 205.1
[M+K]+ 379.17938 181.0
[M+H-H2O]+ 323.21348 177.3
[M+HCOO]- 385.21442 186.5
[M+CH3COO]- 399.23007 223.1
[M+Na-2H]- 361.19089 189.8
[M]+ 340.21567 183.5
[M]- 340.21677 183.5
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.