CID 490661

6,7-bis(2-ethylphenyl)pteridine-2,4-diamine

Structural Information

Molecular Formula
C22H22N6
SMILES
CCC1=CC=CC=C1C2=NC3=C(N=C(N=C3N=C2C4=CC=CC=C4CC)N)N
InChI
InChI=1S/C22H22N6/c1-3-13-9-5-7-11-15(13)17-18(16-12-8-6-10-14(16)4-2)26-21-19(25-17)20(23)27-22(24)28-21/h5-12H,3-4H2,1-2H3,(H4,23,24,26,27,28)
InChIKey
YWKUSBLPVYEJMO-UHFFFAOYSA-N
Compound name
6,7-bis(2-ethylphenyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.19058 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19786 196.9
[M+Na]+ 393.17980 206.5
[M-H]- 369.18330 201.9
[M+NH4]+ 388.22440 203.7
[M+K]+ 409.15374 197.3
[M+H-H2O]+ 353.18784 184.2
[M+HCOO]- 415.18878 214.5
[M+CH3COO]- 429.20443 205.1
[M+Na-2H]- 391.16525 201.1
[M]+ 370.19003 195.8
[M]- 370.19113 195.8
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.