CID 3087638

1h-isoindole-1,3(2h)-dione, 2-((1-((4-methyl-1-piperazinyl)methyl)-1h-benzimidazol-2-yl)methyl)-

Structural Information

Molecular Formula
C22H23N5O2
SMILES
CN1CCN(CC1)CN2C3=CC=CC=C3N=C2CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C22H23N5O2/c1-24-10-12-25(13-11-24)15-27-19-9-5-4-8-18(19)23-20(27)14-26-21(28)16-6-2-3-7-17(16)22(26)29/h2-9H,10-15H2,1H3
InChIKey
QZMCTDMLVGXEKK-UHFFFAOYSA-N
Compound name
2-[[1-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.18518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19246 197.2
[M+Na]+ 412.17440 206.3
[M-H]- 388.17790 202.7
[M+NH4]+ 407.21900 207.0
[M+K]+ 428.14834 198.6
[M+H-H2O]+ 372.18244 185.2
[M+HCOO]- 434.18338 210.5
[M+CH3COO]- 448.19903 205.5
[M+Na-2H]- 410.15985 194.5
[M]+ 389.18463 197.2
[M]- 389.18573 197.2
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.