CID 496412

Nsc688880

Structural Information

Molecular Formula
C24H31NO3
SMILES
CC1(OCC(O1)C(C(CC=C)NCC2=CC=CC=C2)OCC3=CC=CC=C3)C
InChI
InChI=1S/C24H31NO3/c1-4-11-21(25-16-19-12-7-5-8-13-19)23(22-18-27-24(2,3)28-22)26-17-20-14-9-6-10-15-20/h4-10,12-15,21-23,25H,1,11,16-18H2,2-3H3
InChIKey
AJYUOGLVQOWCNI-UHFFFAOYSA-N
Compound name
N-benzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethoxypent-4-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 197.8
[M+Na]+ 404.219618 199.9
[M-H]- 380.223124 207.2
[M+NH4]+ 399.264223 209.2
[M+K]+ 420.193558 198.0
[M+H-H2O]+ 364.227660 189.0
[M+HCOO]- 426.228601 215.9
[M+CH3COO]- 440.244251 221.1
[M+Na-2H]- 402.205066 198.0
[M]+ 381.22985142 199.0
[M]- 381.23094858 199.0
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.