CID 3075514

184691-57-4

Structural Information

Molecular Formula
C23H28N6O
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=NC=CC=N5
InChI
InChI=1S/C23H28N6O/c1-26-20-7-3-2-6-18(20)19-8-13-28(22(30)21(19)26)12-5-11-27-14-16-29(17-15-27)23-24-9-4-10-25-23/h2-4,6-7,9-10H,5,8,11-17H2,1H3
InChIKey
FUROGMBECBYLFC-UHFFFAOYSA-N
Compound name
9-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.23245 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.23973 204.8
[M+Na]+ 427.22167 211.6
[M-H]- 403.22517 207.2
[M+NH4]+ 422.26627 210.3
[M+K]+ 443.19561 202.7
[M+H-H2O]+ 387.22971 190.1
[M+HCOO]- 449.23065 213.4
[M+CH3COO]- 463.24630 210.5
[M+Na-2H]- 425.20712 204.3
[M]+ 404.23190 201.9
[M]- 404.23300 201.9
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.