CID 135544868

Mls001209263

Structural Information

Molecular Formula
C19H23N3O2
SMILES
C/C(=N\N1CCN(CC1)C2=CC=CC=C2OC)/C3=CC=CC=C3O
InChI
InChI=1S/C19H23N3O2/c1-15(16-7-3-5-9-18(16)23)20-22-13-11-21(12-14-22)17-8-4-6-10-19(17)24-2/h3-10,23H,11-14H2,1-2H3/b20-15+
InChIKey
BGMIIVGOZQDOIA-HMMYKYKNSA-N
Compound name
2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

325.17902 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 179.0
[M+Na]+ 348.16824 183.3
[M-H]- 324.17174 185.1
[M+NH4]+ 343.21284 189.3
[M+K]+ 364.14218 178.8
[M+H-H2O]+ 308.17628 167.8
[M+HCOO]- 370.17722 196.5
[M+CH3COO]- 384.19287 211.2
[M+Na-2H]- 346.15369 181.1
[M]+ 325.17847 175.6
[M]- 325.17957 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.