CID 37809

37683-53-7

Structural Information

Molecular Formula
C18H27N3
SMILES
CN1CCC2=C(CC1)N(C3=CC=CC=C23)CCCN(C)C
InChI
InChI=1S/C18H27N3/c1-19(2)11-6-12-21-17-8-5-4-7-15(17)16-9-13-20(3)14-10-18(16)21/h4-5,7-8H,6,9-14H2,1-3H3
InChIKey
AHSCGRGHIAQEDM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.2205 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.22778 168.8
[M+Na]+ 308.20972 175.3
[M-H]- 284.21322 174.0
[M+NH4]+ 303.25432 185.8
[M+K]+ 324.18366 174.5
[M+H-H2O]+ 268.21776 160.6
[M+HCOO]- 330.21870 187.8
[M+CH3COO]- 344.23435 179.6
[M+Na-2H]- 306.19517 171.9
[M]+ 285.21995 168.4
[M]- 285.22105 168.4
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