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]+ 382.23768 195.3
[M+Na]+ 404.21962 198.8
[M-H]- 380.22312 202.5
[M+NH4]+ 399.26422 207.7
[M+K]+ 420.19356 194.9
[M+H-H2O]+ 364.22766 185.7
[M+HCOO]- 426.22860 208.1
[M+CH3COO]- 440.24425 203.3
[M+Na-2H]- 402.20507 194.4
[M]+ 381.22985 193.2
[M]- 381.23095 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