CID 9689874

N-{4-[((2e)-2-{1-[4-(1h-tetraazol-1-yl)phenyl]ethylidene}hydrazino)carbonyl]phenyl}-2-thiophenecarboxamide

Structural Information

Molecular Formula
C21H17N7O2S
SMILES
C/C(=N\NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2)/C3=CC=C(C=C3)N4C=NN=N4
InChI
InChI=1S/C21H17N7O2S/c1-14(15-6-10-18(11-7-15)28-13-22-26-27-28)24-25-20(29)16-4-8-17(9-5-16)23-21(30)19-3-2-12-31-19/h2-13H,1H3,(H,23,30)(H,25,29)/b24-14+
InChIKey
WHIZMHTVTKDOCX-ZVHZXABRSA-N
Compound name
N-[4-[[(E)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.11646 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.12374 196.8
[M+Na]+ 454.10568 203.7
[M-H]- 430.10918 207.9
[M+NH4]+ 449.15028 204.4
[M+K]+ 470.07962 198.2
[M+H-H2O]+ 414.11372 185.8
[M+HCOO]- 476.11466 217.1
[M+CH3COO]- 490.13031 206.0
[M+Na-2H]- 452.09113 198.1
[M]+ 431.11591 200.2
[M]- 431.11701 200.2
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.