CID 3053350

69816-27-9

Structural Information

Molecular Formula
C24H31NO3
SMILES
CC1(CC(C2=C(O1)C=C(C=C2)OCC(CN3CCCC3)O)C4=CC=CC=C4)C
InChI
InChI=1S/C24H31NO3/c1-24(2)15-22(18-8-4-3-5-9-18)21-11-10-20(14-23(21)28-24)27-17-19(26)16-25-12-6-7-13-25/h3-5,8-11,14,19,22,26H,6-7,12-13,15-17H2,1-2H3
InChIKey
LVLCVHBJLBXCBQ-UHFFFAOYSA-N
Compound name
1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.2304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 195.3
[M+Na]+ 404.219618 198.8
[M-H]- 380.223124 202.5
[M+NH4]+ 399.264223 207.7
[M+K]+ 420.193558 194.9
[M+H-H2O]+ 364.227660 185.7
[M+HCOO]- 426.228601 208.1
[M+CH3COO]- 440.244251 203.3
[M+Na-2H]- 402.205066 194.4
[M]+ 381.22985142 193.2
[M]- 381.23094858 193.2
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

patents stripe