CID 24740933

1002357-04-1

Structural Information

Molecular Formula
C27H37N2
SMILES
CC1=CC=CC=C1[C@H](C(C)(C)C)N2C=C[N+](=C2)[C@H](C3=CC=CC=C3C)C(C)(C)C
InChI
InChI=1S/C27H37N2/c1-20-13-9-11-15-22(20)24(26(3,4)5)28-17-18-29(19-28)25(27(6,7)8)23-16-12-10-14-21(23)2/h9-19,24-25H,1-8H3/q+1/t24-,25-/m1/s1
InChIKey
SDCRMMWSBVVDPG-JWQCQUIFSA-N
Compound name
1,3-bis[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.2957 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.30298 199.7
[M+Na]+ 412.28492 215.1
[M+NH4]+ 407.32952 207.9
[M+K]+ 428.25886 210.2
[M-H]- 388.28842 206.0
[M+Na-2H]- 410.27037 209.2
[M]+ 389.29515 204.4
[M]- 389.29625 204.4
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.