CID 365599

Nsc633400

Structural Information

Molecular Formula
C22H28N4
SMILES
CCN(CC)CCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24
InChI
InChI=1S/C22H28N4/c1-3-25(4-2)14-15-26-13-11-19-18-9-5-6-10-20(18)24-21(19)22(26)17-8-7-12-23-16-17/h5-10,12,16,22,24H,3-4,11,13-15H2,1-2H3
InChIKey
ZLBQRZFRWCJAPS-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.23138 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23866 186.7
[M+Na]+ 371.22060 192.8
[M-H]- 347.22410 190.4
[M+NH4]+ 366.26520 199.1
[M+K]+ 387.19454 185.7
[M+H-H2O]+ 331.22864 175.5
[M+HCOO]- 393.22958 203.1
[M+CH3COO]- 407.24523 195.3
[M+Na-2H]- 369.20605 189.7
[M]+ 348.23083 186.6
[M]- 348.23193 186.6
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

No patent data available for this compound.