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 202.7
[M+Na]+ 412.28492 207.7
[M-H]- 388.28842 210.1
[M+NH4]+ 407.32952 213.3
[M+K]+ 428.25886 196.8
[M+H-H2O]+ 372.29296 195.9
[M+HCOO]- 434.29390 216.6
[M+CH3COO]- 448.30955 219.5
[M+Na-2H]- 410.27037 203.9
[M]+ 389.29515 203.0
[M]- 389.29625 203.0
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.