CID 3428972

401792-94-7

Structural Information

Molecular Formula
C16H27N3O6
SMILES
CC(C)(C)OC(=O)NCCCCCCNC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C16H27N3O6/c1-16(2,3)24-14(22)17-10-6-4-5-7-11-18-15(23)25-19-12(20)8-9-13(19)21/h4-11H2,1-3H3,(H,17,22)(H,18,23)
InChIKey
KQTQUAPEZDVTKG-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.18997 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19725 183.7
[M+Na]+ 380.17919 186.5
[M-H]- 356.18269 184.9
[M+NH4]+ 375.22379 196.3
[M+K]+ 396.15313 186.2
[M+H-H2O]+ 340.18723 176.4
[M+HCOO]- 402.18817 203.0
[M+CH3COO]- 416.20382 216.2
[M+Na-2H]- 378.16464 183.2
[M]+ 357.18942 187.3
[M]- 357.19052 187.3
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.