CID 197233

Sr 957000a

Structural Information

Molecular Formula
C20H28N4O
SMILES
CCN(CC)CCCNC1=NC=C(C2=C1C3=C(N2)C=CC(=C3)OC)C
InChI
InChI=1S/C20H28N4O/c1-5-24(6-2)11-7-10-21-20-18-16-12-15(25-4)8-9-17(16)23-19(18)14(3)13-22-20/h8-9,12-13,23H,5-7,10-11H2,1-4H3,(H,21,22)
InChIKey
HJMUVBLHINSPGN-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

340.22632 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.23360 184.5
[M+Na]+ 363.21554 192.2
[M-H]- 339.21904 187.5
[M+NH4]+ 358.26014 199.3
[M+K]+ 379.18948 186.9
[M+H-H2O]+ 323.22358 175.4
[M+HCOO]- 385.22452 205.7
[M+CH3COO]- 399.24017 221.7
[M+Na-2H]- 361.20099 188.4
[M]+ 340.22577 189.9
[M]- 340.22687 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe