CID 3087641

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

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CCN(CC)CN1C2=CC=CC=C2N=C1CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H22N4O2/c1-3-23(4-2)14-25-18-12-8-7-11-17(18)22-19(25)13-24-20(26)15-9-5-6-10-16(15)21(24)27/h5-12H,3-4,13-14H2,1-2H3
InChIKey
QSCZWBSDYLFPGK-UHFFFAOYSA-N
Compound name
2-[[1-(diethylaminomethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1743 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 187.1
[M+Na]+ 385.16352 200.6
[M+NH4]+ 380.20812 194.0
[M+K]+ 401.13746 196.7
[M-H]- 361.16702 190.5
[M+Na-2H]- 383.14897 192.3
[M]+ 362.17375 189.9
[M]- 362.17485 189.9
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.