CID 3069092

Brn 5565108

Structural Information

Molecular Formula
C17H25N3
SMILES
CN(C)CCCN1C2=C(CCCNC2)C3=CC=CC=C31
InChI
InChI=1S/C17H25N3/c1-19(2)11-6-12-20-16-9-4-3-7-14(16)15-8-5-10-18-13-17(15)20/h3-4,7,9,18H,5-6,8,10-13H2,1-2H3
InChIKey
JMCZCZZHOVVORH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2,3,4,5-tetrahydro-1H-azepino[3,4-b]indol-10-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.20483 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.21211 164.3
[M+Na]+ 294.19405 170.0
[M-H]- 270.19755 168.1
[M+NH4]+ 289.23865 180.9
[M+K]+ 310.16799 168.6
[M+H-H2O]+ 254.20209 156.3
[M+HCOO]- 316.20303 182.3
[M+CH3COO]- 330.21868 174.6
[M+Na-2H]- 292.17950 168.3
[M]+ 271.20428 161.5
[M]- 271.20538 161.5
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.