CID 24891366

Na-p-hydroxycoumaroyltryptophan

Structural Information

Molecular Formula
C20H18N2O4
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C20H18N2O4/c23-15-8-5-13(6-9-15)7-10-19(24)22-18(20(25)26)11-14-12-21-17-4-2-1-3-16(14)17/h1-10,12,18,21,23H,11H2,(H,22,24)(H,25,26)/b10-7+
InChIKey
IDUPBPKKEQWWCP-JXMROGBWSA-N
Compound name
2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 181.4
[M+Na]+ 373.11587 186.6
[M-H]- 349.11937 183.9
[M+NH4]+ 368.16047 192.9
[M+K]+ 389.08981 180.7
[M+H-H2O]+ 333.12391 173.4
[M+HCOO]- 395.12485 199.2
[M+CH3COO]- 409.14050 207.7
[M+Na-2H]- 371.10132 182.4
[M]+ 350.12610 180.2
[M]- 350.12720 180.2
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

No patent data available for this compound.