CID 3046430

62071-45-8

Structural Information

Molecular Formula
C23H31NO3
SMILES
CC(C)NCC(COC1=CC2=C(C=C1)C(CC(O2)(C)C)C3=CC=CC=C3)O
InChI
InChI=1S/C23H31NO3/c1-16(2)24-14-18(25)15-26-19-10-11-20-21(17-8-6-5-7-9-17)13-23(3,4)27-22(20)12-19/h5-12,16,18,21,24-25H,13-15H2,1-4H3
InChIKey
ZLIPGKFMOHQSSI-UHFFFAOYSA-N
Compound name
1-[(2,2-dimethyl-4-phenyl-3,4-dihydrochromen-7-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

369.2304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.237676 193.2
[M+Na]+ 392.219618 196.9
[M-H]- 368.223124 199.0
[M+NH4]+ 387.264223 205.9
[M+K]+ 408.193558 194.2
[M+H-H2O]+ 352.227660 184.7
[M+HCOO]- 414.228601 208.4
[M+CH3COO]- 428.244251 220.8
[M+Na-2H]- 390.205066 194.9
[M]+ 369.22985142 193.9
[M]- 369.23094858 193.9
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