CID 357006

Nsc614575

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)N3C4=CC=CC=C4N=N3
InChI
InChI=1S/C19H18N4O2/c1-3-22(4-2)14-10-9-13-11-17(19(24)25-18(13)12-14)23-16-8-6-5-7-15(16)20-21-23/h5-12H,3-4H2,1-2H3
InChIKey
DJZKLSNHUKQLMW-UHFFFAOYSA-N
Compound name
3-(benzotriazol-1-yl)-7-(diethylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14297 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 179.5
[M+Na]+ 357.13219 190.6
[M-H]- 333.13569 187.0
[M+NH4]+ 352.17679 192.1
[M+K]+ 373.10613 186.2
[M+H-H2O]+ 317.14023 168.8
[M+HCOO]- 379.14117 200.7
[M+CH3COO]- 393.15682 191.2
[M+Na-2H]- 355.11764 185.9
[M]+ 334.14242 186.0
[M]- 334.14352 186.0
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.