CID 15953928

4-[5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-yl]aniline

Structural Information

Molecular Formula
C22H18N4O2
SMILES
C1=CC=C(C=C1)C(=NOCC2=NN=C(O2)C3=CC=C(C=C3)N)C4=CC=CC=C4
InChI
InChI=1S/C22H18N4O2/c23-19-13-11-18(12-14-19)22-25-24-20(28-22)15-27-26-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15,23H2
InChIKey
JMGRVGCGTOFFBD-UHFFFAOYSA-N
Compound name
4-[5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14297 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15025 187.1
[M+Na]+ 393.13219 193.0
[M-H]- 369.13569 198.7
[M+NH4]+ 388.17679 195.5
[M+K]+ 409.10613 188.4
[M+H-H2O]+ 353.14023 174.9
[M+HCOO]- 415.14117 210.8
[M+CH3COO]- 429.15682 197.0
[M+Na-2H]- 391.11764 191.5
[M]+ 370.14242 187.6
[M]- 370.14352 187.6
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.