CID 393010

Nsc694260

Structural Information

Molecular Formula
C22H17N4O
SMILES
C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCC5=CC=CO5)C#N
InChI
InChI=1S/C22H16N4O/c1-25-19-10-4-5-11-20(19)26-18-9-3-2-8-16(18)21(17(13-23)22(25)26)24-14-15-7-6-12-27-15/h2-12H,14H2,1H3/p+1
InChIKey
MNORSAAYUUXCOJ-UHFFFAOYSA-O
Compound name
5-(furan-2-ylmethylamino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.14023 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14751 192.1
[M+Na]+ 376.12945 206.1
[M-H]- 352.13295 197.9
[M+NH4]+ 371.17405 205.0
[M+K]+ 392.10339 190.5
[M+H-H2O]+ 336.13749 178.4
[M+HCOO]- 398.13843 209.8
[M+CH3COO]- 412.15408 201.3
[M+Na-2H]- 374.11490 197.8
[M]+ 353.13968 191.1
[M]- 353.14078 191.1
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.