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

36
Patents

438.08685 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09413 189.7
[M+Na]+ 461.07607 190.6
[M-H]- 437.07957 205.9
[M+NH4]+ 456.12067 198.8
[M+K]+ 477.05001 195.3
[M+H-H2O]+ 421.08411 175.5
[M+HCOO]- 483.08505 225.4
[M+CH3COO]- 497.10070 251.3
[M+Na-2H]- 459.06152 199.3
[M]+ 438.08630 197.9
[M]- 438.08740 197.9
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