CID 54712285

Nsc647413

Structural Information

Molecular Formula
C26H31N3O3
SMILES
CN(C)/N=C(\CCN1CCCC1)/CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C26H31N3O3/c1-28(2)27-20(14-17-29-15-8-9-16-29)18-22(19-10-4-3-5-11-19)24-25(30)21-12-6-7-13-23(21)32-26(24)31/h3-7,10-13,22,30H,8-9,14-18H2,1-2H3/b27-20+
InChIKey
IJVKYQVRLPWEOY-NHFJDJAPSA-N
Compound name
3-[(3Z)-3-(dimethylhydrazinylidene)-1-phenyl-5-pyrrolidin-1-ylpentyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.23654 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.24382 207.4
[M+Na]+ 456.22576 209.8
[M-H]- 432.22926 217.4
[M+NH4]+ 451.27036 216.0
[M+K]+ 472.19970 206.7
[M+H-H2O]+ 416.23380 196.5
[M+HCOO]- 478.23474 225.7
[M+CH3COO]- 492.25039 237.3
[M+Na-2H]- 454.21121 206.4
[M]+ 433.23599 208.2
[M]- 433.23709 208.2
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.