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]+ 421.25981 191.7
[M+Na]+ 443.24175 194.5
[M-H]- 419.24525 190.0
[M+NH4]+ 438.28635 209.9
[M+K]+ 459.21569 189.7
[M+H-H2O]+ 403.24979 180.5
[M+HCOO]- 465.25073 196.5
[M+CH3COO]- 479.26638 197.5
[M+Na-2H]- 441.22720 195.5
[M]+ 420.25198 198.5
[M]- 420.25308 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.