CID 14409362

Tryptophylserine

Structural Information

Molecular Formula
C14H17N3O4
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CO)C(=O)O)N
InChI
InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)
InChIKey
MYVYPSWUSKCCHG-UHFFFAOYSA-N
Compound name
2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

291.12192 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 165.1
[M+Na]+ 314.11114 169.3
[M-H]- 290.11464 163.9
[M+NH4]+ 309.15574 178.5
[M+K]+ 330.08508 166.1
[M+H-H2O]+ 274.11918 158.0
[M+HCOO]- 336.12012 182.8
[M+CH3COO]- 350.13577 199.7
[M+Na-2H]- 312.09659 165.7
[M]+ 291.12137 162.3
[M]- 291.12247 162.3
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