CID 654976

111679-06-2

Structural Information

Molecular Formula
C12H15N3
SMILES
CCCN1C2=CC=CC=C2N3C1=NCC3
InChI
InChI=1S/C12H15N3/c1-2-8-14-10-5-3-4-6-11(10)15-9-7-13-12(14)15/h3-6H,2,7-9H2,1H3
InChIKey
SFCZUTISULZKDZ-UHFFFAOYSA-N
Compound name
4-propyl-1,2-dihydroimidazo[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

201.1266 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 146.3
[M+Na]+ 224.11582 155.9
[M-H]- 200.11932 147.9
[M+NH4]+ 219.16042 167.4
[M+K]+ 240.08976 152.2
[M+H-H2O]+ 184.12386 138.4
[M+HCOO]- 246.12480 165.8
[M+CH3COO]- 260.14045 159.0
[M+Na-2H]- 222.10127 150.4
[M]+ 201.12605 147.3
[M]- 201.12715 147.3
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.