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]+ 363.181576 188.3
[M+Na]+ 385.163518 198.0
[M-H]- 361.167024 195.3
[M+NH4]+ 380.208123 203.0
[M+K]+ 401.137458 192.5
[M+H-H2O]+ 345.171560 178.5
[M+HCOO]- 407.172501 209.5
[M+CH3COO]- 421.188151 199.2
[M+Na-2H]- 383.148966 188.8
[M]+ 362.17375142 194.2
[M]- 362.17484858 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.