CID 3001476

Schembl14089884

Structural Information

Molecular Formula
C20H17N5O
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(O4)C5=CC=C(C=C5)N
InChI
InChI=1S/C20H17N5O/c21-14-4-1-12(2-5-14)17-7-8-18(26-17)20-24-15-6-3-13(11-16(15)25-20)19-22-9-10-23-19/h1-8,11H,9-10,21H2,(H,22,23)(H,24,25)
InChIKey
YPJQWUYTADSSKW-UHFFFAOYSA-N
Compound name
4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

343.1433 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15058 174.6
[M+Na]+ 366.13252 183.9
[M-H]- 342.13602 183.3
[M+NH4]+ 361.17712 185.5
[M+K]+ 382.10646 177.2
[M+H-H2O]+ 326.14056 165.4
[M+HCOO]- 388.14150 193.3
[M+CH3COO]- 402.15715 185.0
[M+Na-2H]- 364.11797 174.3
[M]+ 343.14275 173.1
[M]- 343.14385 173.1
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