CID 3613823

Ms-1819

Structural Information

Molecular Formula
C16H23NOS
SMILES
CC(C)(C)C1=CC=C(C=C1)CON=C2CCSCC2
InChI
InChI=1S/C16H23NOS/c1-16(2,3)14-6-4-13(5-7-14)12-18-17-15-8-10-19-11-9-15/h4-7H,8-12H2,1-3H3
InChIKey
QKZIKPBOHKELOB-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methoxy]thian-4-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

277.15002 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15730 165.7
[M+Na]+ 300.13924 170.0
[M-H]- 276.14274 172.6
[M+NH4]+ 295.18384 182.6
[M+K]+ 316.11318 166.6
[M+H-H2O]+ 260.14728 158.2
[M+HCOO]- 322.14822 181.5
[M+CH3COO]- 336.16387 201.6
[M+Na-2H]- 298.12469 167.9
[M]+ 277.14947 165.2
[M]- 277.15057 165.2
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.