CID 21117773

Qatyperflzvakg-inizcteosa-n

Structural Information

Molecular Formula
C17H17N3O5
SMILES
CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O5/c1-11(21)18-16(10-12-2-8-15(22)9-3-12)17(23)19-13-4-6-14(7-5-13)20(24)25/h2-9,16,22H,10H2,1H3,(H,18,21)(H,19,23)/t16-/m0/s1
InChIKey
QATYPERFLZVAKG-INIZCTEOSA-N
Compound name
(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.11682 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12410 175.9
[M+Na]+ 366.10604 178.3
[M-H]- 342.10954 180.8
[M+NH4]+ 361.15064 186.1
[M+K]+ 382.07998 171.8
[M+H-H2O]+ 326.11408 171.7
[M+HCOO]- 388.11502 198.7
[M+CH3COO]- 402.13067 207.5
[M+Na-2H]- 364.09149 179.4
[M]+ 343.11627 172.9
[M]- 343.11737 172.9
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.