CID 39104823

121436-48-4

Structural Information

Molecular Formula
C11H15N3S
SMILES
CCN(CC)C1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C11H15N3S/c1-3-14(4-2)8-5-6-9-10(7-8)15-11(12)13-9/h5-7H,3-4H2,1-2H3,(H2,12,13)
InChIKey
HVEZEMFGHFXXHV-UHFFFAOYSA-N
Compound name
6-N,6-N-diethyl-1,3-benzothiazole-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09866 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10594 146.7
[M+Na]+ 244.08788 156.5
[M-H]- 220.09138 151.8
[M+NH4]+ 239.13248 167.8
[M+K]+ 260.06182 153.2
[M+H-H2O]+ 204.09592 140.0
[M+HCOO]- 266.09686 168.2
[M+CH3COO]- 280.11251 195.6
[M+Na-2H]- 242.07333 150.4
[M]+ 221.09811 151.0
[M]- 221.09921 151.0
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.