CID 16727628

5-ethylamino-2-[4-(5-nitrofurfuryldene) aminophenyl]-1,3,4-thiadiazole

Structural Information

Molecular Formula
C15H13N5O3S
SMILES
CCNC1=NN=C(S1)C2=CC=C(C=C2)N=CC3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H13N5O3S/c1-2-16-15-19-18-14(24-15)10-3-5-11(6-4-10)17-9-12-7-8-13(23-12)20(21)22/h3-9H,2H2,1H3,(H,16,19)
InChIKey
AJEDIJMGBDJJPN-UHFFFAOYSA-N
Compound name
N-ethyl-5-[4-[(5-nitrofuran-2-yl)methylideneamino]phenyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0739 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.08118 176.0
[M+Na]+ 366.06312 184.1
[M-H]- 342.06662 187.0
[M+NH4]+ 361.10772 188.6
[M+K]+ 382.03706 176.5
[M+H-H2O]+ 326.07116 171.3
[M+HCOO]- 388.07210 200.6
[M+CH3COO]- 402.08775 207.5
[M+Na-2H]- 364.04857 181.3
[M]+ 343.07335 179.7
[M]- 343.07445 179.7
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.