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

2
Patents

378.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 194.9
[M+Na]+ 401.21996 202.6
[M-H]- 377.22346 203.8
[M+NH4]+ 396.26456 210.5
[M+K]+ 417.19390 198.9
[M+H-H2O]+ 361.22800 185.1
[M+HCOO]- 423.22894 214.1
[M+CH3COO]- 437.24459 205.4
[M+Na-2H]- 399.20541 198.0
[M]+ 378.23019 200.3
[M]- 378.23129 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