CID 135420366

Nsc684975

Structural Information

Molecular Formula
C21H20N4O2
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C21H20N4O2/c1-3-25(4-2)14-10-9-13-11-16(19(22)27-18(13)12-14)20-23-17-8-6-5-7-15(17)21(26)24-20/h5-12,22H,3-4H2,1-2H3,(H,23,24,26)
InChIKey
KNNPAJBJUSJPJF-UHFFFAOYSA-N
Compound name
2-[7-(diethylamino)-2-iminochromen-3-yl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15863 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 187.6
[M+Na]+ 383.14785 197.7
[M-H]- 359.15135 194.9
[M+NH4]+ 378.19245 197.7
[M+K]+ 399.12179 191.9
[M+H-H2O]+ 343.15589 176.4
[M+HCOO]- 405.15683 208.1
[M+CH3COO]- 419.17248 197.9
[M+Na-2H]- 381.13330 195.7
[M]+ 360.15808 190.8
[M]- 360.15918 190.8
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.