CID 16642529

927966-12-9

Structural Information

Molecular Formula
C14H14N2OS
SMILES
C1CC2=C(C=CC(=C2)N)N(C1)C(=O)C3=CC=CS3
InChI
InChI=1S/C14H14N2OS/c15-11-5-6-12-10(9-11)3-1-7-16(12)14(17)13-4-2-8-18-13/h2,4-6,8-9H,1,3,7,15H2
InChIKey
XIMYGKBPDPDMOX-UHFFFAOYSA-N
Compound name
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.08267 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08995 156.7
[M+Na]+ 281.07189 164.3
[M-H]- 257.07539 162.6
[M+NH4]+ 276.11649 175.2
[M+K]+ 297.04583 159.5
[M+H-H2O]+ 241.07993 149.9
[M+HCOO]- 303.08087 172.5
[M+CH3COO]- 317.09652 168.4
[M+Na-2H]- 279.05734 157.7
[M]+ 258.08212 155.0
[M]- 258.08322 155.0
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.