CID 16077221

N-benzyloxy-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methanimine

Structural Information

Molecular Formula
C20H20N2O
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N/OCC3=CC=CC=C3
InChI
InChI=1S/C20H20N2O/c1-16-13-19(14-21-23-15-18-9-5-3-6-10-18)17(2)22(16)20-11-7-4-8-12-20/h3-14H,15H2,1-2H3/b21-14+
InChIKey
DAUKRFRFHITFFJ-KGENOOAVSA-N
Compound name
(E)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-phenylmethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.15756 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 173.0
[M+Na]+ 327.14678 180.9
[M-H]- 303.15028 183.0
[M+NH4]+ 322.19138 188.7
[M+K]+ 343.12072 175.6
[M+H-H2O]+ 287.15482 163.2
[M+HCOO]- 349.15576 199.1
[M+CH3COO]- 363.17141 209.7
[M+Na-2H]- 325.13223 176.2
[M]+ 304.15701 175.7
[M]- 304.15811 175.7
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.