CID 27543

15918-70-4

Structural Information

Molecular Formula
C14H18N2O
SMILES
CN1C2=C(CCNCC2)C3=C1C=CC(=C3)OC
InChI
InChI=1S/C14H18N2O/c1-16-13-4-3-10(17-2)9-12(13)11-5-7-15-8-6-14(11)16/h3-4,9,15H,5-8H2,1-2H3
InChIKey
KOSKDCNBMSADMZ-UHFFFAOYSA-N
Compound name
9-methoxy-6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 149.9
[M+Na]+ 253.13112 161.2
[M+NH4]+ 248.17572 158.0
[M+K]+ 269.10506 157.3
[M-H]- 229.13462 151.4
[M+Na-2H]- 251.11657 154.6
[M]+ 230.14135 151.9
[M]- 230.14245 151.9
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

No patent data available for this compound.