CID 3007944

Schembl14519400

Structural Information

Molecular Formula
C24H24N4
SMILES
CCC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C24H24N4/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)24-27-21-14-13-20(23(25)26)15-22(21)28-24/h3-6,9-15H,2,7-8H2,1H3,(H3,25,26)(H,27,28)
InChIKey
DJPSLYCRSAFHEP-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-ethylphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

368.2001 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20738 190.4
[M+Na]+ 391.18932 197.6
[M-H]- 367.19282 197.2
[M+NH4]+ 386.23392 201.1
[M+K]+ 407.16326 188.5
[M+H-H2O]+ 351.19736 180.0
[M+HCOO]- 413.19830 211.0
[M+CH3COO]- 427.21395 199.4
[M+Na-2H]- 389.17477 192.7
[M]+ 368.19955 188.6
[M]- 368.20065 188.6
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