CID 348711

7509-73-1

Structural Information

Molecular Formula
C21H24N4O3
SMILES
CCN(CC)C1=C(C=C2C(=CC(=O)OC2=C1)C)NC(=O)C3=CC(=CC(=C3)N)N
InChI
InChI=1S/C21H24N4O3/c1-4-25(5-2)18-11-19-16(12(3)6-20(26)28-19)10-17(18)24-21(27)13-7-14(22)9-15(23)8-13/h6-11H,4-5,22-23H2,1-3H3,(H,24,27)
InChIKey
PUFUTDBGUSUJTA-UHFFFAOYSA-N
Compound name
3,5-diamino-N-[7-(diethylamino)-4-methyl-2-oxochromen-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.18484 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 196.2
[M+Na]+ 403.17406 203.3
[M-H]- 379.17756 205.5
[M+NH4]+ 398.21866 207.1
[M+K]+ 419.14800 200.9
[M+H-H2O]+ 363.18210 186.3
[M+HCOO]- 425.18304 219.8
[M+CH3COO]- 439.19869 236.4
[M+Na-2H]- 401.15951 197.6
[M]+ 380.18429 198.1
[M]- 380.18539 198.1
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.