CID 206129

1-(2-(n-methylpiperazino)ethyl)-1,9-dimethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole dimaleate

Structural Information

Molecular Formula
C20H29N3O
SMILES
CC1(C2=C(CCO1)C3=CC=CC=C3N2C)CCN4CCN(CC4)C
InChI
InChI=1S/C20H29N3O/c1-20(9-10-23-13-11-21(2)12-14-23)19-17(8-15-24-20)16-6-4-5-7-18(16)22(19)3/h4-7H,8-15H2,1-3H3
InChIKey
ZDPPUUPDFVXSCO-UHFFFAOYSA-N
Compound name
1,9-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyrano[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.23105 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.23833 182.8
[M+Na]+ 350.22027 190.2
[M-H]- 326.22377 186.9
[M+NH4]+ 345.26487 197.3
[M+K]+ 366.19421 185.3
[M+H-H2O]+ 310.22831 172.1
[M+HCOO]- 372.22925 194.7
[M+CH3COO]- 386.24490 191.9
[M+Na-2H]- 348.20572 184.4
[M]+ 327.23050 181.5
[M]- 327.23160 181.5
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

patents stripe