CID 7408424

H-lys(boc)-pna

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 184.6
[M+Na]+ 389.17952 185.4
[M-H]- 365.18302 186.7
[M+NH4]+ 384.22412 194.6
[M+K]+ 405.15346 180.5
[M+H-H2O]+ 349.18756 181.0
[M+HCOO]- 411.18850 206.4
[M+CH3COO]- 425.20415 216.1
[M+Na-2H]- 387.16497 187.5
[M]+ 366.18975 183.0
[M]- 366.19085 183.0
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