CID 3045581

60960-02-3

Structural Information

Molecular Formula
C27H33N5O3
SMILES
C1CN(CCN1CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4)CC(=O)N5CCOCC5
InChI
InChI=1S/C27H33N5O3/c33-25(22-6-2-1-3-7-22)10-11-32-24-9-5-4-8-23(24)28-26(32)20-29-12-14-30(15-13-29)21-27(34)31-16-18-35-19-17-31/h1-9H,10-21H2
InChIKey
IMSMWYADPVLMOH-UHFFFAOYSA-N
Compound name
3-[2-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.25833 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.26561 216.3
[M+Na]+ 498.24755 217.8
[M-H]- 474.25105 221.5
[M+NH4]+ 493.29215 216.5
[M+K]+ 514.22149 211.9
[M+H-H2O]+ 458.25559 201.2
[M+HCOO]- 520.25653 222.8
[M+CH3COO]- 534.27218 220.1
[M+Na-2H]- 496.23300 212.7
[M]+ 475.25778 212.0
[M]- 475.25888 212.0
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.