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]+ 216.149516 150.9
[M+Na]+ 238.131458 160.1
[M-H]- 214.134964 152.3
[M+NH4]+ 233.176063 171.4
[M+K]+ 254.105398 156.1
[M+H-H2O]+ 198.139500 142.8
[M+HCOO]- 260.140441 170.0
[M+CH3COO]- 274.156091 163.1
[M+Na-2H]- 236.116906 154.5
[M]+ 215.14169142 152.2
[M]- 215.14278858 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.