CID 1091373

L-tryptophan, n-((4-fluorophenyl)sulfonyl)-

Structural Information

Molecular Formula
C17H15FN2O4S
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O4S/c18-12-5-7-13(8-6-12)25(23,24)20-16(17(21)22)9-11-10-19-15-4-2-1-3-14(11)15/h1-8,10,16,19-20H,9H2,(H,21,22)/t16-/m0/s1
InChIKey
LEMVXFLDSISVNM-INIZCTEOSA-N
Compound name
(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

362.07367 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08095 179.2
[M+Na]+ 385.06289 186.9
[M-H]- 361.06639 182.2
[M+NH4]+ 380.10749 191.7
[M+K]+ 401.03683 181.1
[M+H-H2O]+ 345.07093 171.6
[M+HCOO]- 407.07187 192.9
[M+CH3COO]- 421.08752 208.0
[M+Na-2H]- 383.04834 181.9
[M]+ 362.07312 180.6
[M]- 362.07422 180.6
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