CID 3007938

2-[4-[5-(4-aminophenyl)-2-furyl]phenyl]-n-isopropyl-3h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C27H25N5O
SMILES
CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=CC=C(O4)C5=CC=C(C=C5)N)N
InChI
InChI=1S/C27H25N5O/c1-16(2)30-26(29)20-9-12-22-23(15-20)32-27(31-22)19-5-3-17(4-6-19)24-13-14-25(33-24)18-7-10-21(28)11-8-18/h3-16H,28H2,1-2H3,(H2,29,30)(H,31,32)
InChIKey
VFWQYYAZDKCYKS-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-aminophenyl)furan-2-yl]phenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.2059 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.21318 205.8
[M+Na]+ 458.19512 212.6
[M-H]- 434.19862 218.3
[M+NH4]+ 453.23972 214.1
[M+K]+ 474.16906 206.2
[M+H-H2O]+ 418.20316 195.4
[M+HCOO]- 480.20410 227.5
[M+CH3COO]- 494.21975 214.7
[M+Na-2H]- 456.18057 204.8
[M]+ 435.20535 205.6
[M]- 435.20645 205.6
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.