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

2
Patents

244.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 154.2
[M+Na]+ 267.14678 166.1
[M+NH4]+ 262.19138 162.5
[M+K]+ 283.12072 161.9
[M-H]- 243.15028 156.2
[M+Na-2H]- 265.13223 159.0
[M]+ 244.15701 156.6
[M]- 244.15811 156.6
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