CID 90187

Ru 13 (pharmaceutical)

Structural Information

Molecular Formula
C21H24N4
SMILES
CCN(CC)CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)N4C1=NC=C4
InChI
InChI=1S/C21H24N4/c1-3-23(4-2)14-15-25-20-16-18(17-8-6-5-7-9-17)10-11-19(20)24-13-12-22-21(24)25/h5-13,16H,3-4,14-15H2,1-2H3
InChIKey
PZGVDDFORWZPDV-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(6-phenylimidazo[1,2-a]benzimidazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2001 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20738 181.4
[M+Na]+ 355.18932 191.3
[M-H]- 331.19282 188.3
[M+NH4]+ 350.23392 197.4
[M+K]+ 371.16326 185.2
[M+H-H2O]+ 315.19736 171.1
[M+HCOO]- 377.19830 204.8
[M+CH3COO]- 391.21395 192.9
[M+Na-2H]- 353.17477 185.1
[M]+ 332.19955 188.0
[M]- 332.20065 188.0
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.