CID 3075509

184691-47-2

Structural Information

Molecular Formula
C25H28N4O2
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(C(=O)C3)CCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C25H28N4O2/c1-26-22-11-6-5-10-20(22)21-18-23(30)29(25(31)24(21)26)13-7-12-27-14-16-28(17-15-27)19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3
InChIKey
QQIOSSVBPBYDLX-UHFFFAOYSA-N
Compound name
9-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-4H-pyrido[3,4-b]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.22122 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22850 206.7
[M+Na]+ 439.21044 213.5
[M-H]- 415.21394 211.9
[M+NH4]+ 434.25504 214.6
[M+K]+ 455.18438 205.1
[M+H-H2O]+ 399.21848 193.4
[M+HCOO]- 461.21942 217.7
[M+CH3COO]- 475.23507 213.4
[M+Na-2H]- 437.19589 204.8
[M]+ 416.22067 204.5
[M]- 416.22177 204.5
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

No patent data available for this compound.