CID 18218248

Trp-asn

Structural Information

Molecular Formula
C15H18N4O4
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC(=O)N)C(=O)O)N
InChI
InChI=1S/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)
InChIKey
GRQCSEWEPIHLBI-UHFFFAOYSA-N
Compound name
4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

318.1328 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14008 171.9
[M+Na]+ 341.12202 176.3
[M+NH4]+ 336.16662 174.8
[M+K]+ 357.09596 177.4
[M-H]- 317.12552 170.1
[M+Na-2H]- 339.10747 172.0
[M]+ 318.13225 171.0
[M]- 318.13335 171.0
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