CID 18218249

Tryptophylglutamine

Structural Information

Molecular Formula
C16H20N4O4
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCC(=O)N)C(=O)O)N
InChI
InChI=1S/C16H20N4O4/c17-11(7-9-8-19-12-4-2-1-3-10(9)12)15(22)20-13(16(23)24)5-6-14(18)21/h1-4,8,11,13,19H,5-7,17H2,(H2,18,21)(H,20,22)(H,23,24)
InChIKey
NZCPCJCJZHKFGZ-UHFFFAOYSA-N
Compound name
5-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.14847 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15575 176.3
[M+Na]+ 355.13769 180.4
[M+NH4]+ 350.18229 179.0
[M+K]+ 371.11163 181.3
[M-H]- 331.14119 174.4
[M+Na-2H]- 353.12314 176.1
[M]+ 332.14792 175.3
[M]- 332.14902 175.3
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