CID 154191

1,8-diethyl-1-methyl-4,9-dihydro-3h-pyrano[3,4-b]indole

Structural Information

Molecular Formula
C16H21NO
SMILES
CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(C)CC
InChI
InChI=1S/C16H21NO/c1-4-11-7-6-8-12-13-9-10-18-16(3,5-2)15(13)17-14(11)12/h6-8,17H,4-5,9-10H2,1-3H3
InChIKey
IYMCQNNWNNRAQH-UHFFFAOYSA-N
Compound name
1,8-diethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
Patents

243.16231 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16959 156.8
[M+Na]+ 266.15153 166.5
[M-H]- 242.15503 160.5
[M+NH4]+ 261.19613 177.6
[M+K]+ 282.12547 162.2
[M+H-H2O]+ 226.15957 150.5
[M+HCOO]- 288.16051 174.5
[M+CH3COO]- 302.17616 169.2
[M+Na-2H]- 264.13698 162.7
[M]+ 243.16176 158.1
[M]- 243.16286 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe