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]+ 364.201946 191.2
[M+Na]+ 386.183888 200.7
[M-H]- 362.187394 199.5
[M+NH4]+ 381.228493 204.4
[M+K]+ 402.157828 196.4
[M+H-H2O]+ 346.191930 181.3
[M+HCOO]- 408.192871 209.8
[M+CH3COO]- 422.208521 202.0
[M+Na-2H]- 384.169336 192.7
[M]+ 363.19412142 196.3
[M]- 363.19521858 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.