CID 2801799

253169-95-8

Structural Information

Molecular Formula
C17H25NO2S
SMILES
C1CCCCCC(=NOC(=O)C2=CC=CS2)CCCCC1
InChI
InChI=1S/C17H25NO2S/c19-17(16-13-10-14-21-16)20-18-15-11-8-6-4-2-1-3-5-7-9-12-15/h10,13-14H,1-9,11-12H2
InChIKey
HNPDKOCIWSFLJR-UHFFFAOYSA-N
Compound name
(cyclododecylideneamino) thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1606 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16788 170.8
[M+Na]+ 330.14982 172.3
[M-H]- 306.15332 175.1
[M+NH4]+ 325.19442 184.8
[M+K]+ 346.12376 170.8
[M+H-H2O]+ 290.15786 166.7
[M+HCOO]- 352.15880 185.5
[M+CH3COO]- 366.17445 197.4
[M+Na-2H]- 328.13527 167.7
[M]+ 307.16005 163.7
[M]- 307.16115 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.