CID 455743

1-phenyl-1h,3h-thiazolo[3,4-a]imidazo[4,5-b]pyridine

Structural Information

Molecular Formula
C14H11N3S
SMILES
C1C2=NC3=C(N2C(S1)C4=CC=CC=C4)C=CC=N3
InChI
InChI=1S/C14H11N3S/c1-2-5-10(6-3-1)14-17-11-7-4-8-15-13(11)16-12(17)9-18-14/h1-8,14H,9H2
InChIKey
FRPIQQPHERGAPD-UHFFFAOYSA-N
Compound name
3-phenyl-4-thia-2,7,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.06737 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07465 153.8
[M+Na]+ 276.05659 166.4
[M-H]- 252.06009 160.0
[M+NH4]+ 271.10119 173.7
[M+K]+ 292.03053 161.0
[M+H-H2O]+ 236.06463 146.6
[M+HCOO]- 298.06557 171.2
[M+CH3COO]- 312.08122 167.2
[M+Na-2H]- 274.04204 157.3
[M]+ 253.06682 157.5
[M]- 253.06792 157.5
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.