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

5
Patents

288.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.191056 168.2
[M+Na]+ 311.172998 177.4
[M-H]- 287.176504 173.4
[M+NH4]+ 306.217603 187.6
[M+K]+ 327.146938 174.9
[M+H-H2O]+ 271.181040 161.5
[M+HCOO]- 333.181981 187.2
[M+CH3COO]- 347.197631 207.5
[M+Na-2H]- 309.158446 172.9
[M]+ 288.18323142 172.3
[M]- 288.18432858 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