CID 455100

Thiazoloisoindol-5-one deriv. 25

Structural Information

Molecular Formula
C18H17NOS
SMILES
CC1=C(C=C(C=C1)C23C4=CC=CC=C4C(=O)N2CCS3)C
InChI
InChI=1S/C18H17NOS/c1-12-7-8-14(11-13(12)2)18-16-6-4-3-5-15(16)17(20)19(18)9-10-21-18/h3-8,11H,9-10H2,1-2H3
InChIKey
DDPUDYWHQCBXHA-UHFFFAOYSA-N
Compound name
9b-(3,4-dimethylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

295.1031 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11038 169.1
[M+Na]+ 318.09232 180.4
[M-H]- 294.09582 177.4
[M+NH4]+ 313.13692 192.1
[M+K]+ 334.06626 174.7
[M+H-H2O]+ 278.10036 163.5
[M+HCOO]- 340.10130 185.0
[M+CH3COO]- 354.11695 181.9
[M+Na-2H]- 316.07777 169.2
[M]+ 295.10255 172.1
[M]- 295.10365 172.1
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