CID 3014992

Ns00052762

Structural Information

Molecular Formula
C25H34N2
SMILES
CCCCC1=CC=C(C=C1)CN2CN(C=C2)CC3=CC=C(C=C3)CCCC
InChI
InChI=1S/C25H34N2/c1-3-5-7-22-9-13-24(14-10-22)19-26-17-18-27(21-26)20-25-15-11-23(12-16-25)8-6-4-2/h9-18H,3-8,19-21H2,1-2H3
InChIKey
CVGUYIHJQZWIMH-UHFFFAOYSA-N
Compound name
1,3-bis[(4-butylphenyl)methyl]-2H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2722 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.279476 194.8
[M+Na]+ 385.261418 199.5
[M-H]- 361.264924 200.5
[M+NH4]+ 380.306023 206.2
[M+K]+ 401.235358 192.2
[M+H-H2O]+ 345.269460 183.5
[M+HCOO]- 407.270401 213.3
[M+CH3COO]- 421.286051 219.4
[M+Na-2H]- 383.246866 193.1
[M]+ 362.27165142 196.3
[M]- 362.27274858 196.3
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.