CID 6436417

Ib 503

Structural Information

Molecular Formula
C18H21NS
SMILES
CN(C)CC/C=C\1/C2=C(CCC3=CC=CC=C31)SC=C2
InChI
InChI=1S/C18H21NS/c1-19(2)12-5-8-16-15-7-4-3-6-14(15)9-10-18-17(16)11-13-20-18/h3-4,6-8,11,13H,5,9-10,12H2,1-2H3/b16-8+
InChIKey
ZDYPMKZEUSYJQI-LZYBPNLTSA-N
Compound name
(3E)-N,N-dimethyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.13947 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14675 165.6
[M+Na]+ 306.12869 175.7
[M+NH4]+ 301.17329 175.3
[M+K]+ 322.10263 168.3
[M-H]- 282.13219 169.8
[M+Na-2H]- 304.11414 170.7
[M]+ 283.13892 168.8
[M]- 283.14002 168.8
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

patents stripe