CID 3044860

57791-08-9

Structural Information

Molecular Formula
C24H30N2O2
SMILES
CC1(C2=C(CCO1)C3=C(N2C)C=CC(=C3)OCC4=CC=CC=C4)CCN(C)C
InChI
InChI=1S/C24H30N2O2/c1-24(13-14-25(2)3)23-20(12-15-28-24)21-16-19(10-11-22(21)26(23)4)27-17-18-8-6-5-7-9-18/h5-11,16H,12-15,17H2,1-4H3
InChIKey
SHCWLDSZQHHHAN-UHFFFAOYSA-N
Compound name
2-(1,9-dimethyl-6-phenylmethoxy-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

378.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.238016 194.9
[M+Na]+ 401.219958 202.6
[M-H]- 377.223464 203.8
[M+NH4]+ 396.264563 210.5
[M+K]+ 417.193898 198.9
[M+H-H2O]+ 361.228000 185.1
[M+HCOO]- 423.228941 214.1
[M+CH3COO]- 437.244591 205.4
[M+Na-2H]- 399.205406 198.0
[M]+ 378.23019142 200.3
[M]- 378.23128858 200.3
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