CID 5274476

N-isopropyl-2-[4-(4-oxochromen-2-yl)phenyl]-3h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C26H22N4O2
SMILES
CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=CC(=O)C5=CC=CC=C5O4)N
InChI
InChI=1S/C26H22N4O2/c1-15(2)28-25(27)18-11-12-20-21(13-18)30-26(29-20)17-9-7-16(8-10-17)24-14-22(31)19-5-3-4-6-23(19)32-24/h3-15H,1-2H3,(H2,27,28)(H,29,30)
InChIKey
GNBYIKZQFVLIQE-UHFFFAOYSA-N
Compound name
2-[4-(4-oxochromen-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

422.1743 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18158 203.9
[M+Na]+ 445.16352 212.4
[M-H]- 421.16702 214.0
[M+NH4]+ 440.20812 212.4
[M+K]+ 461.13746 205.9
[M+H-H2O]+ 405.17156 192.8
[M+HCOO]- 467.17250 223.2
[M+CH3COO]- 481.18815 212.9
[M+Na-2H]- 443.14897 206.7
[M]+ 422.17375 205.5
[M]- 422.17485 205.5
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.