CID 223355

6,7-diphenylpteridine-2,4-diamine

Structural Information

Molecular Formula
C18H14N6
SMILES
C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2C4=CC=CC=C4)N)N
InChI
InChI=1S/C18H14N6/c19-16-15-17(24-18(20)23-16)22-14(12-9-5-2-6-10-12)13(21-15)11-7-3-1-4-8-11/h1-10H,(H4,19,20,22,23,24)
InChIKey
DDZJPETYMUJLIW-UHFFFAOYSA-N
Compound name
6,7-diphenylpteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

23
Patents

314.128 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13528 176.0
[M+Na]+ 337.11722 185.8
[M-H]- 313.12072 181.1
[M+NH4]+ 332.16182 184.7
[M+K]+ 353.09116 177.2
[M+H-H2O]+ 297.12526 163.9
[M+HCOO]- 359.12620 195.2
[M+CH3COO]- 373.14185 185.6
[M+Na-2H]- 335.10267 184.2
[M]+ 314.12745 173.0
[M]- 314.12855 173.0
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