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]+ 333.207376 181.4
[M+Na]+ 355.189318 191.3
[M-H]- 331.192824 188.3
[M+NH4]+ 350.233923 197.4
[M+K]+ 371.163258 185.2
[M+H-H2O]+ 315.197360 171.1
[M+HCOO]- 377.198301 204.8
[M+CH3COO]- 391.213951 192.9
[M+Na-2H]- 353.174766 185.1
[M]+ 332.19955142 188.0
[M]- 332.20064858 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.