CID 135426059

4-{(1z)-n-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimidoyl}phenol

Structural Information

Molecular Formula
C23H25N3O
SMILES
C/C(=N\N1CCN(CC1)CC2=CC=CC3=CC=CC=C32)/C4=CC=C(C=C4)O
InChI
InChI=1S/C23H25N3O/c1-18(19-9-11-22(27)12-10-19)24-26-15-13-25(14-16-26)17-21-7-4-6-20-5-2-3-8-23(20)21/h2-12,27H,13-17H2,1H3/b24-18+
InChIKey
VKGRJKMOJVGVHB-HKOYGPOVSA-N
Compound name
4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.19977 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20705 188.6
[M+Na]+ 382.18899 192.4
[M-H]- 358.19249 194.8
[M+NH4]+ 377.23359 198.1
[M+K]+ 398.16293 185.7
[M+H-H2O]+ 342.19703 176.4
[M+HCOO]- 404.19797 204.0
[M+CH3COO]- 418.21362 196.3
[M+Na-2H]- 380.17444 191.5
[M]+ 359.19922 183.6
[M]- 359.20032 183.6
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.