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 188.3
[M+Na]+ 385.16352 198.0
[M-H]- 361.16702 195.3
[M+NH4]+ 380.20812 203.0
[M+K]+ 401.13746 192.5
[M+H-H2O]+ 345.17156 178.5
[M+HCOO]- 407.17250 209.5
[M+CH3COO]- 421.18815 199.2
[M+Na-2H]- 383.14897 188.8
[M]+ 362.17375 194.2
[M]- 362.17485 194.2
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.