CID 5274477

N-isopropyl-2-[4-(7-methoxy-4-oxo-chromen-2-yl)phenyl]-3h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C27H24N4O3
SMILES
CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=CC(=O)C5=C(O4)C=C(C=C5)OC)N
InChI
InChI=1S/C27H24N4O3/c1-15(2)29-26(28)18-8-11-21-22(12-18)31-27(30-21)17-6-4-16(5-7-17)24-14-23(32)20-10-9-19(33-3)13-25(20)34-24/h4-15H,1-3H3,(H2,28,29)(H,30,31)
InChIKey
IGNGOBGSZBIFFA-UHFFFAOYSA-N
Compound name
2-[4-(7-methoxy-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

452.18484 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19212 212.4
[M+Na]+ 475.17406 220.9
[M-H]- 451.17756 222.6
[M+NH4]+ 470.21866 219.7
[M+K]+ 491.14800 215.1
[M+H-H2O]+ 435.18210 201.0
[M+HCOO]- 497.18304 231.3
[M+CH3COO]- 511.19869 221.0
[M+Na-2H]- 473.15951 214.0
[M]+ 452.18429 215.9
[M]- 452.18539 216.0
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.