CID 3007941

Schembl14519399

Structural Information

Molecular Formula
C23H22N4O
SMILES
COC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C23H22N4O/c1-28-19-11-6-16(7-12-19)3-2-15-4-8-17(9-5-15)23-26-20-13-10-18(22(24)25)14-21(20)27-23/h4-14H,2-3H2,1H3,(H3,24,25)(H,26,27)
InChIKey
JVMHVFNHYMOIEY-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

370.17935 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18663 188.9
[M+Na]+ 393.16857 196.3
[M-H]- 369.17207 195.9
[M+NH4]+ 388.21317 199.4
[M+K]+ 409.14251 188.2
[M+H-H2O]+ 353.17661 178.5
[M+HCOO]- 415.17755 210.1
[M+CH3COO]- 429.19320 198.2
[M+Na-2H]- 391.15402 191.9
[M]+ 370.17880 188.1
[M]- 370.17990 188.1
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