CID 2740105

Maybridge1_007881

Structural Information

Molecular Formula
C14H13N3S
SMILES
C1CCN(C1)C2=NSC(=C2C#N)C3=CC=CC=C3
InChI
InChI=1S/C14H13N3S/c15-10-12-13(11-6-2-1-3-7-11)18-16-14(12)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2
InChIKey
LACGKDYFHSVEQJ-UHFFFAOYSA-N
Compound name
5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

11
Patents

255.08302 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09030 161.6
[M+Na]+ 278.07224 172.9
[M-H]- 254.07574 167.7
[M+NH4]+ 273.11684 178.1
[M+K]+ 294.04618 166.6
[M+H-H2O]+ 238.08028 146.8
[M+HCOO]- 300.08122 175.4
[M+CH3COO]- 314.09687 172.3
[M+Na-2H]- 276.05769 159.9
[M]+ 255.08247 156.3
[M]- 255.08357 156.3
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

patents stripe