CID 386909

Nsc679810

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CC(C)(C)OC(=O)NC12C3C4C1C5C2C3C45NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H26N2O4/c1-15(2,3)23-13(21)19-17-7-10-8(17)12-9(17)11(7)18(10,12)20-14(22)24-16(4,5)6/h7-12H,1-6H3,(H,19,21)(H,20,22)
InChIKey
GLIIDSDAHUGWAH-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cuban-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

334.18927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19655 248.4
[M+Na]+ 357.17849 245.4
[M-H]- 333.18199 251.1
[M+NH4]+ 352.22309 241.5
[M+K]+ 373.15243 250.7
[M+H-H2O]+ 317.18653 234.4
[M+HCOO]- 379.18747 247.1
[M+CH3COO]- 393.20312 269.8
[M+Na-2H]- 355.16394 239.1
[M]+ 334.18872 267.4
[M]- 334.18982 267.4
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

patents stripe