CID 3066880

111679-07-3

Structural Information

Molecular Formula
C13H17N3
SMILES
CCCCN1C2=CC=CC=C2N3C1=NCC3
InChI
InChI=1S/C13H17N3/c1-2-3-9-15-11-6-4-5-7-12(11)16-10-8-14-13(15)16/h4-7H,2-3,8-10H2,1H3
InChIKey
UGZIYDPMSHKPPE-UHFFFAOYSA-N
Compound name
4-butyl-1,2-dihydroimidazo[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 150.9
[M+Na]+ 238.13146 160.1
[M-H]- 214.13496 152.3
[M+NH4]+ 233.17606 171.4
[M+K]+ 254.10540 156.1
[M+H-H2O]+ 198.13950 142.8
[M+HCOO]- 260.14044 170.0
[M+CH3COO]- 274.15609 163.1
[M+Na-2H]- 236.11691 154.5
[M]+ 215.14169 152.2
[M]- 215.14279 152.2
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.