CID 6452812

53350-83-7

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3N(C4=CC=CC=C4N3C)C
InChI
InChI=1S/C22H25N3O2/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4/h7-14,21H,5-6H2,1-4H3
InChIKey
RAKLMTFFTWJJAI-UHFFFAOYSA-N
Compound name
7-(diethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 191.2
[M+Na]+ 386.18389 200.7
[M-H]- 362.18739 199.5
[M+NH4]+ 381.22849 204.4
[M+K]+ 402.15783 196.4
[M+H-H2O]+ 346.19193 181.3
[M+HCOO]- 408.19287 209.8
[M+CH3COO]- 422.20852 202.0
[M+Na-2H]- 384.16934 192.7
[M]+ 363.19412 196.3
[M]- 363.19522 196.3
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.