CID 135510708

Chembl1276317

Structural Information

Molecular Formula
C19H17N3O4
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C\3=NC4=CC=CC=C4/C3=N\OCC(CO)O
InChI
InChI=1S/C19H17N3O4/c23-9-11(24)10-26-22-17-13-6-2-4-8-15(13)20-18(17)16-12-5-1-3-7-14(12)21-19(16)25/h1-8,11,21,23-25H,9-10H2/b22-17+
InChIKey
VWZPBTLHRKKDDW-OQKWZONESA-N
Compound name
3-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

351.12192 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12920 177.6
[M+Na]+ 374.11114 186.0
[M-H]- 350.11464 181.3
[M+NH4]+ 369.15574 191.3
[M+K]+ 390.08508 180.2
[M+H-H2O]+ 334.11918 170.1
[M+HCOO]- 396.12012 196.7
[M+CH3COO]- 410.13577 187.7
[M+Na-2H]- 372.09659 180.5
[M]+ 351.12137 180.0
[M]- 351.12247 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe