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 150.9
[M+Na]+ 253.13112 159.2
[M-H]- 229.13462 154.2
[M+NH4]+ 248.17572 169.0
[M+K]+ 269.10506 157.8
[M+H-H2O]+ 213.13916 144.3
[M+HCOO]- 275.14010 168.5
[M+CH3COO]- 289.15575 162.6
[M+Na-2H]- 251.11657 155.9
[M]+ 230.14135 148.3
[M]- 230.14245 148.3
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