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]+ 319.180496 177.7
[M+Na]+ 341.162438 186.0
[M-H]- 317.165944 187.9
[M+NH4]+ 336.207043 193.1
[M+K]+ 357.136378 180.6
[M+H-H2O]+ 301.170480 167.9
[M+HCOO]- 363.171421 203.4
[M+CH3COO]- 377.187071 213.8
[M+Na-2H]- 339.147886 179.6
[M]+ 318.17267142 181.2
[M]- 318.17376858 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

literature stripe

Patent stripe

No patent data available for this compound.