CID 37810

37683-54-8

Structural Information

Molecular Formula
C19H29N3
SMILES
CC1=CC2=C(C=C1)N(C3=C2CCN(CC3)C)CCCN(C)C
InChI
InChI=1S/C19H29N3/c1-15-6-7-18-17(14-15)16-8-12-21(4)13-9-19(16)22(18)11-5-10-20(2)3/h6-7,14H,5,8-13H2,1-4H3
InChIKey
SBANABZSEGVIFK-UHFFFAOYSA-N
Compound name
3-(3,9-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.23615 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.24343 173.5
[M+Na]+ 322.22537 180.4
[M-H]- 298.22887 178.9
[M+NH4]+ 317.26997 190.2
[M+K]+ 338.19931 179.5
[M+H-H2O]+ 282.23341 165.4
[M+HCOO]- 344.23435 192.2
[M+CH3COO]- 358.25000 184.2
[M+Na-2H]- 320.21082 175.4
[M]+ 299.23560 173.7
[M]- 299.23670 173.7
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