CID 6279151

Nsc632823

Structural Information

Molecular Formula
C22H22N2O6
SMILES
C1CC(/C(=N/O)/C(=C/C2=CC3=C(C=C2)OCO3)/C1)C(C4=CC5=C(C=C4)OCO5)NO
InChI
InChI=1S/C22H22N2O6/c25-23-21-14(8-13-4-6-17-19(9-13)29-11-27-17)2-1-3-16(21)22(24-26)15-5-7-18-20(10-15)30-12-28-18/h4-10,16,22,24-26H,1-3,11-12H2/b14-8+,23-21+
InChIKey
QKIJRORHADNFJM-NRWLCTAZSA-N
Compound name
N-[1,3-benzodioxol-5-yl-[(2Z,3E)-3-(1,3-benzodioxol-5-ylmethylidene)-2-hydroxyiminocyclohexyl]methyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.1478 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.15508 192.4
[M+Na]+ 433.13702 195.8
[M-H]- 409.14052 204.3
[M+NH4]+ 428.18162 201.0
[M+K]+ 449.11096 195.8
[M+H-H2O]+ 393.14506 186.5
[M+HCOO]- 455.14600 206.2
[M+CH3COO]- 469.16165 201.1
[M+Na-2H]- 431.12247 193.6
[M]+ 410.14725 191.5
[M]- 410.14835 191.5
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.