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

literature stripe

Patent stripe

patents stripe