CID 10883669

258278-28-3

Structural Information

Molecular Formula
C27H38N2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
InChI
InChI=1S/C27H38N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-14,18-21H,15-16H2,1-8H3
InChIKey
XZDYFCGKKKSOEY-UHFFFAOYSA-N
Compound name
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

390.3035 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.31078 202.0
[M+Na]+ 413.29272 205.4
[M-H]- 389.29622 207.3
[M+NH4]+ 408.33732 211.7
[M+K]+ 429.26666 194.4
[M+H-H2O]+ 373.30076 196.9
[M+HCOO]- 435.30170 214.9
[M+CH3COO]- 449.31735 221.2
[M+Na-2H]- 411.27817 195.6
[M]+ 390.30295 198.8
[M]- 390.30405 198.8
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

patents stripe