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]+ 335.150246 179.2
[M+Na]+ 357.132188 189.9
[M-H]- 333.135694 186.6
[M+NH4]+ 352.176793 195.1
[M+K]+ 373.106128 184.8
[M+H-H2O]+ 317.140230 169.9
[M+HCOO]- 379.141171 201.1
[M+CH3COO]- 393.156821 191.0
[M+Na-2H]- 355.117636 180.8
[M]+ 334.14242142 184.5
[M]- 334.14351858 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.