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

4
Patents

369.2304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23768 193.2
[M+Na]+ 392.21962 196.9
[M-H]- 368.22312 199.0
[M+NH4]+ 387.26422 205.9
[M+K]+ 408.19356 194.2
[M+H-H2O]+ 352.22766 184.7
[M+HCOO]- 414.22860 208.4
[M+CH3COO]- 428.24425 220.8
[M+Na-2H]- 390.20507 194.9
[M]+ 369.22985 193.9
[M]- 369.23095 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