CID 16077222

N-benzyloxy-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methanimine

Structural Information

Molecular Formula
C21H22N2O
SMILES
CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/OCC3=CC=CC=C3)C
InChI
InChI=1S/C21H22N2O/c1-16-9-11-21(12-10-16)23-17(2)13-20(18(23)3)14-22-24-15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3/b22-14+
InChIKey
ZPNZRHANXRLBDB-HYARGMPZSA-N
Compound name
(E)-1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-phenylmethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.17322 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 177.7
[M+Na]+ 341.16244 186.0
[M-H]- 317.16594 187.9
[M+NH4]+ 336.20704 193.1
[M+K]+ 357.13638 180.6
[M+H-H2O]+ 301.17048 167.9
[M+HCOO]- 363.17142 203.4
[M+CH3COO]- 377.18707 213.8
[M+Na-2H]- 339.14789 179.6
[M]+ 318.17267 181.2
[M]- 318.17377 181.2
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.