CID 54712295

Nsc647432

Structural Information

Molecular Formula
C27H33N3O3
SMILES
C/C(=N\N(C)C)/C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C27H33N3O3/c1-19(28-29(2)3)22(18-30-16-10-5-11-17-30)24(20-12-6-4-7-13-20)25-26(31)21-14-8-9-15-23(21)33-27(25)32/h4,6-9,12-15,22,24,31H,5,10-11,16-18H2,1-3H3/b28-19+
InChIKey
HDETYUCEXZKION-TURZUDJPSA-N
Compound name
3-[(3E)-3-(dimethylhydrazinylidene)-1-phenyl-2-(piperidin-1-ylmethyl)butyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.2522 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.25948 211.1
[M+Na]+ 470.24142 211.8
[M-H]- 446.24492 220.1
[M+NH4]+ 465.28602 216.9
[M+K]+ 486.21536 209.3
[M+H-H2O]+ 430.24946 199.0
[M+HCOO]- 492.25040 225.6
[M+CH3COO]- 506.26605 241.9
[M+Na-2H]- 468.22687 210.3
[M]+ 447.25165 209.2
[M]- 447.25275 209.2
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.