CID 3062749

Jo 1323

Structural Information

Molecular Formula
C27H29N3
SMILES
CCCN(C1=CC=CC=C1)C(C)CN2C=NC(=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H29N3/c1-3-19-30(25-17-11-6-12-18-25)22(2)20-29-21-28-26(23-13-7-4-8-14-23)27(29)24-15-9-5-10-16-24/h4-18,21-22H,3,19-20H2,1-2H3
InChIKey
PIFIKNLFXUUDQN-UHFFFAOYSA-N
Compound name
N-[1-(4,5-diphenylimidazol-1-yl)propan-2-yl]-N-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.23615 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.24343 199.8
[M+Na]+ 418.22537 203.7
[M-H]- 394.22887 210.2
[M+NH4]+ 413.26997 209.0
[M+K]+ 434.19931 197.0
[M+H-H2O]+ 378.23341 187.0
[M+HCOO]- 440.23435 220.6
[M+CH3COO]- 454.25000 208.3
[M+Na-2H]- 416.21082 200.0
[M]+ 395.23560 200.2
[M]- 395.23670 200.2
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.