CID 7408424

172422-76-3

Structural Information

Molecular Formula
C17H26N4O5
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N
InChI
InChI=1S/C17H26N4O5/c1-17(2,3)26-16(23)19-11-5-4-6-14(18)15(22)20-12-7-9-13(10-8-12)21(24)25/h7-10,14H,4-6,11,18H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKey
YJTUIVMGRIFXTD-AWEZNQCLSA-N
Compound name
tert-butyl N-[(5S)-5-amino-6-(4-nitroanilino)-6-oxohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.1903 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19758 183.9
[M+Na]+ 389.17952 189.2
[M+NH4]+ 384.22412 186.8
[M+K]+ 405.15346 189.8
[M-H]- 365.18302 184.5
[M+Na-2H]- 387.16497 185.1
[M]+ 366.18975 184.0
[M]- 366.19085 184.0
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