CID 914285

9h-imidazo(1,2-a)benzimidazole, 2-tert-butyl-9-(2-(diethylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H28N4
SMILES
CCN(CC)CCN1C2=CC=CC=C2N3C1=NC(=C3)C(C)(C)C
InChI
InChI=1S/C19H28N4/c1-6-21(7-2)12-13-22-15-10-8-9-11-16(15)23-14-17(19(3,4)5)20-18(22)23/h8-11,14H,6-7,12-13H2,1-5H3
InChIKey
LMESSURCIQLYCJ-UHFFFAOYSA-N
Compound name
2-(2-tert-butylimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.23138 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23866 181.6
[M+Na]+ 335.22060 191.6
[M-H]- 311.22410 185.5
[M+NH4]+ 330.26520 199.2
[M+K]+ 351.19454 187.3
[M+H-H2O]+ 295.22864 173.2
[M+HCOO]- 357.22958 202.7
[M+CH3COO]- 371.24523 215.3
[M+Na-2H]- 333.20605 185.1
[M]+ 312.23083 189.6
[M]- 312.23193 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe