CID 388880

Nsc684107

Structural Information

Molecular Formula
C15H19N3S2
SMILES
CN1CCN(CC1)CC2=NC3=C(S2)CCC4=C3C=CS4
InChI
InChI=1S/C15H19N3S2/c1-17-5-7-18(8-6-17)10-14-16-15-11-4-9-19-12(11)2-3-13(15)20-14/h4,9H,2-3,5-8,10H2,1H3
InChIKey
IGQQEXBCWMXBBN-UHFFFAOYSA-N
Compound name
2-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydrothieno[3,2-e][1,3]benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.10205 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10933 166.0
[M+Na]+ 328.09127 176.7
[M-H]- 304.09477 170.9
[M+NH4]+ 323.13587 184.5
[M+K]+ 344.06521 171.3
[M+H-H2O]+ 288.09931 160.3
[M+HCOO]- 350.10025 174.0
[M+CH3COO]- 364.11590 177.1
[M+Na-2H]- 326.07672 164.2
[M]+ 305.10150 168.0
[M]- 305.10260 168.0
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.