CID 486241

Chembl423381

Structural Information

Molecular Formula
C19H15N7O
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)CC4=CN=C5C(=N4)C(=NC(=N5)N)N
InChI
InChI=1S/C19H15N7O/c20-17-16-18(25-19(21)24-17)22-9-11(23-16)10-26-12-5-1-3-7-14(12)27-15-8-4-2-6-13(15)26/h1-9H,10H2,(H4,20,21,22,24,25)
InChIKey
KPLPHRUKUJCKFM-UHFFFAOYSA-N
Compound name
6-(phenoxazin-10-ylmethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

357.13382 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14110 187.6
[M+Na]+ 380.12304 198.0
[M-H]- 356.12654 190.4
[M+NH4]+ 375.16764 193.8
[M+K]+ 396.09698 190.3
[M+H-H2O]+ 340.13108 174.4
[M+HCOO]- 402.13202 200.7
[M+CH3COO]- 416.14767 195.6
[M+Na-2H]- 378.10849 196.9
[M]+ 357.13327 186.3
[M]- 357.13437 186.3
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.