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 154.7
[M+Na]+ 269.01220 161.6
[M-H]- 245.01570 159.2
[M+NH4]+ 264.05680 174.8
[M+K]+ 284.98614 158.1
[M+H-H2O]+ 229.02024 148.9
[M+HCOO]- 291.02118 171.7
[M+CH3COO]- 305.03683 193.2
[M+Na-2H]- 266.99765 154.8
[M]+ 246.02243 158.8
[M]- 246.02353 158.8
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.