CID 9579164

1-(benzothiophen-7-yl)-n-[(z)-4,4-dimethylpent-2-ynylideneamino]-n-methyl-methanamine

Structural Information

Molecular Formula
C17H20N2S
SMILES
CC(C)(C)C#C/C=N\N(C)CC1=CC=CC2=C1SC=C2
InChI
InChI=1S/C17H20N2S/c1-17(2,3)10-6-11-18-19(4)13-15-8-5-7-14-9-12-20-16(14)15/h5,7-9,11-12H,13H2,1-4H3/b18-11-
InChIKey
YSUVFCAVUUABLF-WQRHYEAKSA-N
Compound name
1-(1-benzothiophen-7-yl)-N-[(Z)-4,4-dimethylpent-2-ynylideneamino]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1347 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 180.9
[M+Na]+ 307.12392 191.4
[M-H]- 283.12742 186.4
[M+NH4]+ 302.16852 199.1
[M+K]+ 323.09786 185.5
[M+H-H2O]+ 267.13196 168.0
[M+HCOO]- 329.13290 196.2
[M+CH3COO]- 343.14855 214.1
[M+Na-2H]- 305.10937 182.1
[M]+ 284.13415 180.7
[M]- 284.13525 180.7
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.