CID 3044862

57791-09-0

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC1(C2=C(CCO1)C3=C(N2C)C=CC(=C3)O)CCN(C)C
InChI
InChI=1S/C17H24N2O2/c1-17(8-9-18(2)3)16-13(7-10-21-17)14-11-12(20)5-6-15(14)19(16)4/h5-6,11,20H,7-10H2,1-4H3
InChIKey
WWPVPCKEGFQBSN-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

288.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 168.2
[M+Na]+ 311.17300 177.4
[M-H]- 287.17650 173.4
[M+NH4]+ 306.21760 187.6
[M+K]+ 327.14694 174.9
[M+H-H2O]+ 271.18104 161.5
[M+HCOO]- 333.18198 187.2
[M+CH3COO]- 347.19763 207.5
[M+Na-2H]- 309.15845 172.9
[M]+ 288.18323 172.3
[M]- 288.18433 172.3
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