CID 16684879

Schembl4732443

Structural Information

Molecular Formula
C18H15AlN6O6
SMILES
C1=CC=C(C=C1)N(N=O)O[Al](ON(C2=CC=CC=C2)N=O)ON(C3=CC=CC=C3)N=O
InChI
InChI=1S/3C6H5N2O2.Al/c3*9-7-8(10)6-4-2-1-3-5-6;/h3*1-5H;/q3*-1;+3
InChIKey
PMSRCBOGDIMQAT-UHFFFAOYSA-N
Compound name
N-bis[(N-nitrosoanilino)oxy]alumanyloxy-N-phenylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

438.08685 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09413 195.0
[M+Na]+ 461.07607 203.7
[M+NH4]+ 456.12067 199.7
[M+K]+ 477.05001 199.3
[M-H]- 437.07957 203.3
[M+Na-2H]- 459.06152 206.4
[M]+ 438.08630 198.0
[M]- 438.08740 198.0
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

patents stripe