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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 154.8
[M+Na]+ 267.14678 164.0
[M-H]- 243.15028 159.6
[M+NH4]+ 262.19138 173.4
[M+K]+ 283.12072 163.2
[M+H-H2O]+ 227.15482 148.1
[M+HCOO]- 289.15576 173.6
[M+CH3COO]- 303.17141 167.1
[M+Na-2H]- 265.13223 159.0
[M]+ 244.15701 154.6
[M]- 244.15811 154.6
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