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]+ 382.23768 197.8
[M+Na]+ 404.21962 199.9
[M-H]- 380.22312 207.2
[M+NH4]+ 399.26422 209.2
[M+K]+ 420.19356 198.0
[M+H-H2O]+ 364.22766 189.0
[M+HCOO]- 426.22860 215.9
[M+CH3COO]- 440.24425 221.1
[M+Na-2H]- 402.20507 198.0
[M]+ 381.22985 199.0
[M]- 381.23095 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.