CID 5274483

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

Structural Information

Molecular Formula
C21H20N4O2
SMILES
CC1=CC(=O)C2=C(O1)C=CC(=C2)C3=NC4=C(N3)C=C(C=C4)C(=NC(C)C)N
InChI
InChI=1S/C21H20N4O2/c1-11(2)23-20(22)13-4-6-16-17(10-13)25-21(24-16)14-5-7-19-15(9-14)18(26)8-12(3)27-19/h4-11H,1-3H3,(H2,22,23)(H,24,25)
InChIKey
UNPLCAPETDYANS-UHFFFAOYSA-N
Compound name
2-(2-methyl-4-oxochromen-6-yl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.15863 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 188.3
[M+Na]+ 383.14785 198.0
[M-H]- 359.15135 195.7
[M+NH4]+ 378.19245 200.1
[M+K]+ 399.12179 192.7
[M+H-H2O]+ 343.15589 178.8
[M+HCOO]- 405.15683 208.3
[M+CH3COO]- 419.17248 198.7
[M+Na-2H]- 381.13330 191.4
[M]+ 360.15808 191.0
[M]- 360.15918 191.0
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

No patent data available for this compound.