CID 15954311

5-[2-(benzhydrylideneamino)oxyethyl]-n-benzyl-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C24H22N4O2
SMILES
C1=CC=C(C=C1)CNC2=NN=C(O2)CCON=C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4O2/c1-4-10-19(11-5-1)18-25-24-27-26-22(30-24)16-17-29-28-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,25,27)
InChIKey
TWDCTTVIGIZBFR-UHFFFAOYSA-N
Compound name
5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1743 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 194.1
[M+Na]+ 421.16352 198.1
[M-H]- 397.16702 205.2
[M+NH4]+ 416.20812 201.2
[M+K]+ 437.13746 193.3
[M+H-H2O]+ 381.17156 181.2
[M+HCOO]- 443.17250 217.6
[M+CH3COO]- 457.18815 203.0
[M+Na-2H]- 419.14897 199.2
[M]+ 398.17375 195.6
[M]- 398.17485 195.6
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.