CID 3088564

Quinazoline, 4-((2-pyridinylmethyl)thio)-

Structural Information

Molecular Formula
C14H11N3S
SMILES
C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC=CC=N3
InChI
InChI=1S/C14H11N3S/c1-2-7-13-12(6-1)14(17-10-16-13)18-9-11-5-3-4-8-15-11/h1-8,10H,9H2
InChIKey
JJHWTLRXXMMLLF-UHFFFAOYSA-N
Compound name
4-(pyridin-2-ylmethylsulfanyl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

253.06737 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07465 153.6
[M+Na]+ 276.05659 170.9
[M+NH4]+ 271.10119 163.4
[M+K]+ 292.03053 159.4
[M-H]- 252.06009 158.6
[M+Na-2H]- 274.04204 164.5
[M]+ 253.06682 158.2
[M]- 253.06792 158.2
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

patents stripe