CID 206231

Tryptophan, n-acetyl-5-methoxy-

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC(=O)N[C@@H](CC1=CNC2=C1C=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C14H16N2O4/c1-8(17)16-13(14(18)19)5-9-7-15-12-4-3-10(20-2)6-11(9)12/h3-4,6-7,13,15H,5H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKey
IJODSTPSSWJSBC-ZDUSSCGKSA-N
Compound name
(2S)-2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

276.111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 161.7
[M+Na]+ 299.10022 168.6
[M-H]- 275.10372 162.8
[M+NH4]+ 294.14482 177.6
[M+K]+ 315.07416 165.7
[M+H-H2O]+ 259.10826 155.1
[M+HCOO]- 321.10920 181.6
[M+CH3COO]- 335.12485 197.2
[M+Na-2H]- 297.08567 163.7
[M]+ 276.11045 163.6
[M]- 276.11155 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe