CID 81693

Fungilon

Structural Information

Molecular Formula
C26H37N2
SMILES
CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=CC=CC=C3)C
InChI
InChI=1S/C26H37N2/c1-3-4-5-6-7-8-9-10-11-17-22-28-25-21-16-15-20-24(25)27(2)26(28)23-18-13-12-14-19-23/h12-16,18-21H,3-11,17,22H2,1-2H3/q+1
InChIKey
GZMGSNMIRNBNQX-UHFFFAOYSA-N
Compound name
1-dodecyl-3-methyl-2-phenylbenzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1438
Patents

377.2957 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.30298 203.9
[M+Na]+ 400.28492 209.9
[M-H]- 376.28842 207.9
[M+NH4]+ 395.32952 216.0
[M+K]+ 416.25886 196.6
[M+H-H2O]+ 360.29296 195.7
[M+HCOO]- 422.29390 222.9
[M+CH3COO]- 436.30955 217.2
[M+Na-2H]- 398.27037 206.3
[M]+ 377.29515 208.7
[M]- 377.29625 208.7
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

patents stripe