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]+ 343.14008 179.6
[M+Na]+ 365.12202 186.1
[M-H]- 341.12552 180.4
[M+NH4]+ 360.16662 190.8
[M+K]+ 381.09596 181.7
[M+H-H2O]+ 325.13006 171.9
[M+HCOO]- 387.13100 194.4
[M+CH3COO]- 401.14665 208.2
[M+Na-2H]- 363.10747 176.3
[M]+ 342.13225 178.6
[M]- 342.13335 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.