CID 6479468

N-[(z)-3-imidazol-1-yl-3-(2-sec-butoxyphenyl)allyl]-n-methyl-aniline

Structural Information

Molecular Formula
C23H27N3O
SMILES
CCC(C)OC1=CC=CC=C1/C(=C/CN(C)C2=CC=CC=C2)/N3C=CN=C3
InChI
InChI=1S/C23H27N3O/c1-4-19(2)27-23-13-9-8-12-21(23)22(26-17-15-24-18-26)14-16-25(3)20-10-6-5-7-11-20/h5-15,17-19H,4,16H2,1-3H3/b22-14-
InChIKey
AIWXUIZFUIAOGF-HMAPJEAMSA-N
Compound name
N-[(Z)-3-(2-butan-2-yloxyphenyl)-3-imidazol-1-ylprop-2-enyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.21542 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 190.8
[M+Na]+ 384.20464 194.3
[M-H]- 360.20814 198.3
[M+NH4]+ 379.24924 201.8
[M+K]+ 400.17858 189.8
[M+H-H2O]+ 344.21268 179.3
[M+HCOO]- 406.21362 211.4
[M+CH3COO]- 420.22927 221.3
[M+Na-2H]- 382.19009 190.6
[M]+ 361.21487 192.4
[M]- 361.21597 192.4
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.