CID 24846828

5h-thiazolo(5',4':4,5)thieno(2,3-d)azepin-2-amine, 6,7,8,9-tetrahydro-7-ethyl-, dihydrochloride

Structural Information

Molecular Formula
C11H15N3S2
SMILES
CCN1CCC2=C(CC1)SC3=C2N=C(S3)N
InChI
InChI=1S/C11H15N3S2/c1-2-14-5-3-7-8(4-6-14)15-10-9(7)13-11(12)16-10/h2-6H2,1H3,(H2,12,13)
InChIKey
XVTKTWQZRSQZRZ-UHFFFAOYSA-N
Compound name
11-ethyl-5,7-dithia-3,11-diazatricyclo[6.5.0.02,6]trideca-1(8),2(6),3-trien-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.07074 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07802 153.4
[M+Na]+ 276.05996 161.9
[M+NH4]+ 271.10456 162.3
[M+K]+ 292.03390 156.8
[M-H]- 252.06346 155.6
[M+Na-2H]- 274.04541 155.9
[M]+ 253.07019 156.1
[M]- 253.07129 156.1
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.