CID 3087637

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

Structural Information

Molecular Formula
C21H20N4O3
SMILES
C1COCCN1CN2C3=CC=CC=C3N=C2CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C21H20N4O3/c26-20-15-5-1-2-6-16(15)21(27)24(20)13-19-22-17-7-3-4-8-18(17)25(19)14-23-9-11-28-12-10-23/h1-8H,9-14H2
InChIKey
GXWOBEQLWGAAFU-UHFFFAOYSA-N
Compound name
2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15353 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16081 189.3
[M+Na]+ 399.14275 198.1
[M-H]- 375.14625 196.6
[M+NH4]+ 394.18735 199.5
[M+K]+ 415.11669 192.6
[M+H-H2O]+ 359.15079 178.4
[M+HCOO]- 421.15173 203.7
[M+CH3COO]- 435.16738 198.6
[M+Na-2H]- 397.12820 188.5
[M]+ 376.15298 190.2
[M]- 376.15408 190.2
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.