CID 6510102

Brn 4442596

Structural Information

Molecular Formula
C13H15N3S
SMILES
CCN\1CCC/C1=N/C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H15N3S/c1-2-16-9-5-8-12(16)15-13-14-10-6-3-4-7-11(10)17-13/h3-4,6-7H,2,5,8-9H2,1H3/b15-12-
InChIKey
WWQDJFZCGRJBOR-QINSGFPZSA-N
Compound name
(Z)-N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.09866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10594 154.1
[M+Na]+ 268.08788 164.4
[M-H]- 244.09138 161.5
[M+NH4]+ 263.13248 175.1
[M+K]+ 284.06182 160.4
[M+H-H2O]+ 228.09592 146.9
[M+HCOO]- 290.09686 174.4
[M+CH3COO]- 304.11251 167.6
[M+Na-2H]- 266.07333 155.7
[M]+ 245.09811 157.0
[M]- 245.09921 157.0
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.