CID 155293194

[2-(1-amino-2-hydroxy-propyl)-4-(1h-indol-3-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetaldehyde

Structural Information

Molecular Formula
C17H18N4O4
SMILES
C[C@H]([C@@H](C1=NC(=C(N1CC(=O)O)O)C=C2C=NC3=CC=CC=C32)N)O
InChI
InChI=1S/C17H18N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-7,9,15,22,25H,8,18H2,1H3,(H,23,24)/t9-,15+/m1/s1
InChIKey
WJVVKAKMNMCFFI-PSLIRLAXSA-N
Compound name
2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-hydroxy-4-(indol-3-ylidenemethyl)imidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1328 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.140076 179.6
[M+Na]+ 365.122018 186.1
[M-H]- 341.125524 180.4
[M+NH4]+ 360.166623 190.8
[M+K]+ 381.095958 181.7
[M+H-H2O]+ 325.130060 171.9
[M+HCOO]- 387.131001 194.4
[M+CH3COO]- 401.146651 208.2
[M+Na-2H]- 363.107466 176.3
[M]+ 342.13225142 178.6
[M]- 342.13334858 178.6
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

No patent data available for this compound.