CID 512382

1,4-butanediamine, n1-[2-(cyclohexylamino)ethyl]-n4-[(2-phenylimidazo[1,2-a]pyridin-5-yl)methyl]-, tetrahydrochloride

Structural Information

Molecular Formula
C26H37N5
SMILES
C1CCC(CC1)NCCNCCCCNCC2=CC=CC3=NC(=CN32)C4=CC=CC=C4
InChI
InChI=1S/C26H37N5/c1-3-10-22(11-4-1)25-21-31-24(14-9-15-26(31)30-25)20-28-17-8-7-16-27-18-19-29-23-12-5-2-6-13-23/h1,3-4,9-11,14-15,21,23,27-29H,2,5-8,12-13,16-20H2
InChIKey
GXDNSCVOVFKNOV-UHFFFAOYSA-N
Compound name
N-[2-(cyclohexylamino)ethyl]-N'-[(2-phenylimidazo[1,2-a]pyridin-5-yl)methyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.3049 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.31218 197.9
[M+Na]+ 442.29412 198.7
[M-H]- 418.29762 203.6
[M+NH4]+ 437.33872 206.3
[M+K]+ 458.26806 191.0
[M+H-H2O]+ 402.30216 185.4
[M+HCOO]- 464.30310 217.6
[M+CH3COO]- 478.31875 204.3
[M+Na-2H]- 440.27957 201.4
[M]+ 419.30435 194.9
[M]- 419.30545 194.9
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.