CID 135583279

61014-86-6

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC1=CC(=C(C(=C1)C)CN2CCN(CC2)/N=C/C3=CC=CC=C3O)C
InChI
InChI=1S/C21H27N3O/c1-16-12-17(2)20(18(3)13-16)15-23-8-10-24(11-9-23)22-14-19-6-4-5-7-21(19)25/h4-7,12-14,25H,8-11,15H2,1-3H3/b22-14+
InChIKey
GGBUEMRZYWVGKM-HYARGMPZSA-N
Compound name
2-[(E)-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 186.0
[M+Na]+ 360.20464 191.8
[M-H]- 336.20814 192.4
[M+NH4]+ 355.24924 196.6
[M+K]+ 376.17858 185.7
[M+H-H2O]+ 320.21268 174.9
[M+HCOO]- 382.21362 203.6
[M+CH3COO]- 396.22927 216.6
[M+Na-2H]- 358.19009 186.5
[M]+ 337.21487 183.4
[M]- 337.21597 183.4
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.