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]+ 360.207046 188.6
[M+Na]+ 382.188988 192.4
[M-H]- 358.192494 194.8
[M+NH4]+ 377.233593 198.1
[M+K]+ 398.162928 185.7
[M+H-H2O]+ 342.197030 176.4
[M+HCOO]- 404.197971 204.0
[M+CH3COO]- 418.213621 196.3
[M+Na-2H]- 380.174436 191.5
[M]+ 359.19922142 183.6
[M]- 359.20031858 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.