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]+ 338.222696 186.0
[M+Na]+ 360.204638 191.8
[M-H]- 336.208144 192.4
[M+NH4]+ 355.249243 196.6
[M+K]+ 376.178578 185.7
[M+H-H2O]+ 320.212680 174.9
[M+HCOO]- 382.213621 203.6
[M+CH3COO]- 396.229271 216.6
[M+Na-2H]- 358.190086 186.5
[M]+ 337.21487142 183.4
[M]- 337.21596858 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.