CID 3062760

Jo 1250

Structural Information

Molecular Formula
C16H23N3O
SMILES
CC(CC1=CC=C(C=C1)OC)(CN2C=CN=C2)N(C)C
InChI
InChI=1S/C16H23N3O/c1-16(18(2)3,12-19-10-9-17-13-19)11-14-5-7-15(20-4)8-6-14/h5-10,13H,11-12H2,1-4H3
InChIKey
TZIOAVDXUDTVIG-UHFFFAOYSA-N
Compound name
1-imidazol-1-yl-3-(4-methoxyphenyl)-N,N,2-trimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.1841 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 166.5
[M+Na]+ 296.17332 172.7
[M-H]- 272.17682 171.8
[M+NH4]+ 291.21792 182.2
[M+K]+ 312.14726 170.6
[M+H-H2O]+ 256.18136 157.4
[M+HCOO]- 318.18230 188.5
[M+CH3COO]- 332.19795 205.0
[M+Na-2H]- 294.15877 170.8
[M]+ 273.18355 170.0
[M]- 273.18465 170.0
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

patents stripe