CID 24886860

1025030-97-0

Structural Information

Molecular Formula
C35H43N2
SMILES
CC(C)C1=CC2=C(C=C1)C=CC(=C2N3CC[N+](=C3)C4=C(C=CC5=C4C=C(C=C5)C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C35H43N2/c1-22(2)28-11-9-26-13-15-30(24(5)6)34(32(26)19-28)36-17-18-37(21-36)35-31(25(7)8)16-14-27-10-12-29(23(3)4)20-33(27)35/h9-16,19-25H,17-18H2,1-8H3/q+1
InChIKey
MWMAPCBAQKCMRC-UHFFFAOYSA-N
Compound name
1,3-bis[2,7-di(propan-2-yl)naphthalen-1-yl]-4,5-dihydroimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.34262 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.34990 235.3
[M+Na]+ 514.33184 240.1
[M-H]- 490.33534 243.8
[M+NH4]+ 509.37644 243.0
[M+K]+ 530.30578 226.6
[M+H-H2O]+ 474.33988 225.9
[M+HCOO]- 536.34082 245.9
[M+CH3COO]- 550.35647 244.6
[M+Na-2H]- 512.31729 229.6
[M]+ 491.34207 236.4
[M]- 491.34317 236.4
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.