CID 5351403

Chembl2009498

Structural Information

Molecular Formula
C26H33N3O2
SMILES
C/C(=N\NC)/C(CN1CCCCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4
InChI
InChI=1S/C26H33N3O2/c1-19(28-27-2)22(17-29-15-9-4-10-16-29)25(20-11-5-3-6-12-20)23-18-31-24-14-8-7-13-21(24)26(23)30/h3,5-8,11-14,22,25,27,30H,4,9-10,15-18H2,1-2H3/b28-19+
InChIKey
OLGUCFQPMBDUGO-TURZUDJPSA-N
Compound name
3-[(3E)-3-(methylhydrazinylidene)-1-phenyl-2-(piperidin-1-ylmethyl)butyl]-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.25726 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.26454 203.7
[M+Na]+ 442.24648 202.8
[M-H]- 418.24998 210.7
[M+NH4]+ 437.29108 209.8
[M+K]+ 458.22042 199.0
[M+H-H2O]+ 402.25452 191.9
[M+HCOO]- 464.25546 216.4
[M+CH3COO]- 478.27111 209.2
[M+Na-2H]- 440.23193 203.9
[M]+ 419.25671 197.8
[M]- 419.25781 197.8
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

No patent data available for this compound.