CID 27555

15923-06-5

Structural Information

Molecular Formula

C₁₅H₂₀N₂O

SMILES

CN1CCC2=C(CC1)N(C3=C2C=C(C=C3)OC)C

InChI

InChI=1S/C15H20N2O/c1-16-8-6-12-13-10-11(18-3)4-5-14(13)17(2)15(12)7-9-16/h4-5,10H,6-9H2,1-3H3

InChIKey

CXMOALYJJYOEIV-UHFFFAOYSA-N

Compound name

9-methoxy-3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.15756 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.164836	154.8
[M+Na]+	267.146778	164.0
[M-H]-	243.150284	159.6
[M+NH4]+	262.191383	173.4
[M+K]+	283.120718	163.2
[M+H-H2O]+	227.154820	148.1
[M+HCOO]-	289.155761	173.6
[M+CH3COO]-	303.171411	167.1
[M+Na-2H]-	265.132226	159.0
[M]+	244.15701142	154.6
[M]-	244.15810858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe