CID 3833874

790270-82-5

Structural Information

Molecular Formula
C14H11N3S
SMILES
CCC1=CC(=S)N2C3=CC=CC=C3NC2=C1C#N
InChI
InChI=1S/C14H11N3S/c1-2-9-7-13(18)17-12-6-4-3-5-11(12)16-14(17)10(9)8-15/h3-7,16H,2H2,1H3
InChIKey
QRRPOVODEZWZSH-UHFFFAOYSA-N
Compound name
3-ethyl-1-sulfanylidene-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

253.06737 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07465 154.7
[M+Na]+ 276.05659 169.4
[M+NH4]+ 271.10119 160.5
[M+K]+ 292.03053 158.0
[M-H]- 252.06009 149.9
[M+Na-2H]- 274.04204 158.0
[M]+ 253.06682 155.2
[M]- 253.06792 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.