CID 24843575

97670-14-9

Structural Information

Molecular Formula
C28H39N3O3
SMILES
CCCCC1(CN(C1)CC/C(=N/OC(=O)NC2=CC=C(C=C2)OC)/C3=CC=CC=C3)CCCC
InChI
InChI=1S/C28H39N3O3/c1-4-6-18-28(19-7-5-2)21-31(22-28)20-17-26(23-11-9-8-10-12-23)30-34-27(32)29-24-13-15-25(33-3)16-14-24/h8-16H,4-7,17-22H2,1-3H3,(H,29,32)/b30-26-
InChIKey
XQDRFSWRDCVVJR-BXVZCJGGSA-N
Compound name
[(Z)-[3-(3,3-dibutylazetidin-1-yl)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.29913 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.30641 222.7
[M+Na]+ 488.28835 227.8
[M+NH4]+ 483.33295 224.8
[M+K]+ 504.26229 219.5
[M-H]- 464.29185 224.5
[M+Na-2H]- 486.27380 227.1
[M]+ 465.29858 222.6
[M]- 465.29968 222.6
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.