CID 3075516

184691-58-5

Structural Information

Molecular Formula
C24H30N6O
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCN(CC4)C5=NC=CC=N5
InChI
InChI=1S/C24H30N6O/c1-27-21-8-3-2-7-19(21)20-9-14-29(23(31)22(20)27)13-5-4-12-28-15-17-30(18-16-28)24-25-10-6-11-26-24/h2-3,6-8,10-11H,4-5,9,12-18H2,1H3
InChIKey
XMJNAJCOZGIZLK-UHFFFAOYSA-N
Compound name
9-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2481 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.25538 206.9
[M+Na]+ 441.23732 221.9
[M+NH4]+ 436.28192 213.0
[M+K]+ 457.21126 214.6
[M-H]- 417.24082 210.7
[M+Na-2H]- 439.22277 212.5
[M]+ 418.24755 210.1
[M]- 418.24865 210.1
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.