CID 3088771

119294-98-3

Structural Information

Molecular Formula
C25H32N4O2
SMILES
CCOC(=O)C1=C(N=C2N1C3=CC=CC=C3N2C)CN(C)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C25H32N4O2/c1-4-31-23(30)22-19(26-24-28(3)20-7-5-6-8-21(20)29(22)24)15-27(2)25-12-16-9-17(13-25)11-18(10-16)14-25/h5-8,16-18H,4,9-15H2,1-3H3
InChIKey
SHNUOXISADCFDW-UHFFFAOYSA-N
Compound name
ethyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.25253 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.259806 191.7
[M+Na]+ 443.241748 194.5
[M-H]- 419.245254 190.0
[M+NH4]+ 438.286353 209.9
[M+K]+ 459.215688 189.7
[M+H-H2O]+ 403.249790 180.5
[M+HCOO]- 465.250731 196.5
[M+CH3COO]- 479.266381 197.5
[M+Na-2H]- 441.227196 195.5
[M]+ 420.25198142 198.5
[M]- 420.25307858 198.5
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.