CID 6481058

(2z)-2-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)cyclopentanone

Structural Information

Molecular Formula
C19H23NOS
SMILES
C1CCCC(CC1)N\2C3=CC=CC=C3S/C2=C\4/CCCC4=O
InChI
InChI=1S/C19H23NOS/c21-17-12-7-10-15(17)19-20(14-8-3-1-2-4-9-14)16-11-5-6-13-18(16)22-19/h5-6,11,13-14H,1-4,7-10,12H2/b19-15-
InChIKey
KSGUJRLWKKEXII-CYVLTUHYSA-N
Compound name
(2Z)-2-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.15002 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15730 180.6
[M+Na]+ 336.13924 184.0
[M-H]- 312.14274 189.7
[M+NH4]+ 331.18384 197.3
[M+K]+ 352.11318 181.3
[M+H-H2O]+ 296.14728 174.0
[M+HCOO]- 358.14822 191.6
[M+CH3COO]- 372.16387 189.4
[M+Na-2H]- 334.12469 174.2
[M]+ 313.14947 172.1
[M]- 313.15057 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

No patent data available for this compound.