CID 5360892

Anidoxime (usan/inn)

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CCN(CC)CC/C(=N/OC(=O)NC1=CC=C(C=C1)OC)/C2=CC=CC=C2
InChI
InChI=1S/C21H27N3O3/c1-4-24(5-2)16-15-20(17-9-7-6-8-10-17)23-27-21(25)22-18-11-13-19(26-3)14-12-18/h6-14H,4-5,15-16H2,1-3H3,(H,22,25)/b23-20-
InChIKey
XPHBRTNHVJSEQD-ATJXCDBQSA-N
Compound name
[(Z)-[3-(diethylamino)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

555
Patents

369.20523 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 191.9
[M+Na]+ 392.19445 194.0
[M-H]- 368.19795 200.0
[M+NH4]+ 387.23905 203.8
[M+K]+ 408.16839 192.6
[M+H-H2O]+ 352.20249 181.3
[M+HCOO]- 414.20343 217.8
[M+CH3COO]- 428.21908 229.2
[M+Na-2H]- 390.17990 193.9
[M]+ 369.20468 196.0
[M]- 369.20578 196.0
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

No patent data available for this compound.