CID 11844916

934628-27-0

Structural Information

Molecular Formula
C19H20N2O2S
SMILES
CC1=C(C=CC=C1N)CN2C=CC(=CC2=O)OCCC3=CC=CS3
InChI
InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3
InChIKey
YCLREGRRHGLOAK-UHFFFAOYSA-N
Compound name
1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

38
Patents

340.12454 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13182 180.3
[M+Na]+ 363.11376 194.4
[M+NH4]+ 358.15836 188.4
[M+K]+ 379.08770 185.8
[M-H]- 339.11726 186.6
[M+Na-2H]- 361.09921 189.1
[M]+ 340.12399 184.6
[M]- 340.12509 184.6
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