CID 9588027

Brn 0858222

Structural Information

Molecular Formula
C21H26N4O3
SMILES
COC1=CC=CC(=C1OC)/C=N/NC(=O)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N4O3/c1-27-19-10-6-7-17(21(19)28-2)15-22-23-20(26)16-24-11-13-25(14-12-24)18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3,(H,23,26)/b22-15+
InChIKey
YIOIQDODYZUQAA-PXLXIMEGSA-N
Compound name
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20778 192.4
[M+Na]+ 405.18972 195.5
[M-H]- 381.19322 199.4
[M+NH4]+ 400.23432 200.5
[M+K]+ 421.16366 191.5
[M+H-H2O]+ 365.19776 180.0
[M+HCOO]- 427.19870 212.1
[M+CH3COO]- 441.21435 225.4
[M+Na-2H]- 403.17517 194.7
[M]+ 382.19995 191.5
[M]- 382.20105 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.