CID 16077223

N-benzyloxy-1-[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methanimine

Structural Information

Molecular Formula
C21H19F3N2O
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)C(F)(F)F)C)/C=N/OCC3=CC=CC=C3
InChI
InChI=1S/C21H19F3N2O/c1-15-12-18(13-25-27-14-17-6-4-3-5-7-17)16(2)26(15)20-10-8-19(9-11-20)21(22,23)24/h3-13H,14H2,1-2H3/b25-13+
InChIKey
QXYJKHCAHWOTMS-DHRITJCHSA-N
Compound name
(E)-1-[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-phenylmethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.14496 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15224 187.7
[M+Na]+ 395.13418 196.7
[M-H]- 371.13768 194.1
[M+NH4]+ 390.17878 200.8
[M+K]+ 411.10812 190.3
[M+H-H2O]+ 355.14222 175.5
[M+HCOO]- 417.14316 208.5
[M+CH3COO]- 431.15881 221.6
[M+Na-2H]- 393.11963 188.6
[M]+ 372.14441 187.4
[M]- 372.14551 187.4
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.