CID 47002226

[amino(thiophen-2-yl)methylidene]amino 4-chlorobutanoate

Structural Information

Molecular Formula
C9H11ClN2O2S
SMILES
C1=CSC(=C1)/C(=N/OC(=O)CCCCl)/N
InChI
InChI=1S/C9H11ClN2O2S/c10-5-1-4-8(13)14-12-9(11)7-3-2-6-15-7/h2-3,6H,1,4-5H2,(H2,11,12)
InChIKey
GZVDRZSHXMCMKH-UHFFFAOYSA-N
Compound name
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 4-chlorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02298 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03026 153.8
[M+Na]+ 269.01220 161.9
[M+NH4]+ 264.05680 161.3
[M+K]+ 284.98614 156.3
[M-H]- 245.01570 155.1
[M+Na-2H]- 266.99765 157.4
[M]+ 246.02243 155.6
[M]- 246.02353 155.6
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.