CID 3087640

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

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CN(C)CN1C2=CC=CC=C2N=C1CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H18N4O2/c1-21(2)12-23-16-10-6-5-9-15(16)20-17(23)11-22-18(24)13-7-3-4-8-14(13)19(22)25/h3-10H,11-12H2,1-2H3
InChIKey
NLRVMASNPZSCBY-UHFFFAOYSA-N
Compound name
2-[[1-[(dimethylamino)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 179.2
[M+Na]+ 357.13219 189.9
[M-H]- 333.13569 186.6
[M+NH4]+ 352.17679 195.1
[M+K]+ 373.10613 184.8
[M+H-H2O]+ 317.14023 169.9
[M+HCOO]- 379.14117 201.1
[M+CH3COO]- 393.15682 191.0
[M+Na-2H]- 355.11764 180.8
[M]+ 334.14242 184.5
[M]- 334.14352 184.5
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.