CID 322498

Methanone, (2,4-diamino-7-phenyl-6-pteridinyl)phenyl-

Structural Information

Molecular Formula
C19H14N6O
SMILES
C1=CC=C(C=C1)C2=NC3=NC(=NC(=C3N=C2C(=O)C4=CC=CC=C4)N)N
InChI
InChI=1S/C19H14N6O/c20-17-15-18(25-19(21)24-17)23-13(11-7-3-1-4-8-11)14(22-15)16(26)12-9-5-2-6-10-12/h1-10H,(H4,20,21,23,24,25)
InChIKey
VGZGTXQZIBKACX-UHFFFAOYSA-N
Compound name
(2,4-diamino-7-phenylpteridin-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.1229 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13018 182.5
[M+Na]+ 365.11212 191.4
[M-H]- 341.11562 187.5
[M+NH4]+ 360.15672 189.6
[M+K]+ 381.08606 183.4
[M+H-H2O]+ 325.12016 170.2
[M+HCOO]- 387.12110 200.6
[M+CH3COO]- 401.13675 191.3
[M+Na-2H]- 363.09757 189.1
[M]+ 342.12235 179.8
[M]- 342.12345 179.8
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

No patent data available for this compound.