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 168.2
[M+Na]+ 306.12869 173.7
[M-H]- 282.13219 175.7
[M+NH4]+ 301.17329 187.9
[M+K]+ 322.10263 172.6
[M+H-H2O]+ 266.13673 163.4
[M+HCOO]- 328.13767 184.8
[M+CH3COO]- 342.15332 179.3
[M+Na-2H]- 304.11414 169.3
[M]+ 283.13892 167.9
[M]- 283.14002 167.9
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