CID 5274484

N-butyl-2-(2-methyl-4-oxo-chromen-6-yl)-3h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CCCCN=C(C1=CC2=C(C=C1)N=C(N2)C3=CC4=C(C=C3)OC(=CC4=O)C)N
InChI
InChI=1S/C22H22N4O2/c1-3-4-9-24-21(23)14-5-7-17-18(12-14)26-22(25-17)15-6-8-20-16(11-15)19(27)10-13(2)28-20/h5-8,10-12H,3-4,9H2,1-2H3,(H2,23,24)(H,25,26)
InChIKey
VEVRZHFXGZKWPC-UHFFFAOYSA-N
Compound name
N'-butyl-2-(2-methyl-4-oxochromen-6-yl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.1743 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 192.4
[M+Na]+ 397.16352 202.0
[M-H]- 373.16702 199.5
[M+NH4]+ 392.20812 203.8
[M+K]+ 413.13746 195.9
[M+H-H2O]+ 357.17156 182.5
[M+HCOO]- 419.17250 213.1
[M+CH3COO]- 433.18815 202.5
[M+Na-2H]- 395.14897 196.1
[M]+ 374.17375 195.9
[M]- 374.17485 195.9
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.