CID 9588037

Brn 0855749

Structural Information

Molecular Formula
C21H26N4O3
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N/N=C/C3=CC(=C(C=C3)OC)O
InChI
InChI=1S/C21H26N4O3/c1-16-4-3-5-18(12-16)25-10-8-24(9-11-25)15-21(27)23-22-14-17-6-7-20(28-2)19(26)13-17/h3-7,12-14,26H,8-11,15H2,1-2H3,(H,23,27)/b22-14+
InChIKey
LJSVSEQCXDNTRR-HYARGMPZSA-N
Compound name
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(3-methylphenyl)piperazin-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 193.2
[M+Na]+ 405.18972 196.8
[M-H]- 381.19322 199.3
[M+NH4]+ 400.23432 200.9
[M+K]+ 421.16366 192.1
[M+H-H2O]+ 365.19776 181.5
[M+HCOO]- 427.19870 211.4
[M+CH3COO]- 441.21435 224.5
[M+Na-2H]- 403.17517 194.3
[M]+ 382.19995 190.9
[M]- 382.20105 190.9
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

No patent data available for this compound.