CID 394023

Nsc697141

Structural Information

Molecular Formula
C23H17Cl2N7O2
SMILES
C1=CC(=CC=C1C2=NN=C(O2)NC3=CC=C(C=C3)Cl)NCC4=NN=C(O4)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H17Cl2N7O2/c24-15-3-9-18(10-4-15)27-22-31-29-20(33-22)13-26-17-7-1-14(2-8-17)21-30-32-23(34-21)28-19-11-5-16(25)6-12-19/h1-12,26H,13H2,(H,27,31)(H,28,32)
InChIKey
SXATZVSGEAKOQZ-UHFFFAOYSA-N
Compound name
5-[[4-[5-(4-chloroanilino)-1,3,4-oxadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.0821 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.08938 212.6
[M+Na]+ 516.07132 222.0
[M-H]- 492.07482 224.9
[M+NH4]+ 511.11592 215.0
[M+K]+ 532.04526 215.4
[M+H-H2O]+ 476.07936 199.4
[M+HCOO]- 538.08030 226.0
[M+CH3COO]- 552.09595 220.7
[M+Na-2H]- 514.05677 215.0
[M]+ 493.08155 219.6
[M]- 493.08265 219.6
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.