CID 457303

6,7-bis(3-propylphenyl)pteridine-2,4-diamine

Structural Information

Molecular Formula
C24H26N6
SMILES
CCCC1=CC(=CC=C1)C2=NC3=C(N=C(N=C3N=C2C4=CC=CC(=C4)CCC)N)N
InChI
InChI=1S/C24H26N6/c1-3-7-15-9-5-11-17(13-15)19-20(18-12-6-10-16(14-18)8-4-2)28-23-21(27-19)22(25)29-24(26)30-23/h5-6,9-14H,3-4,7-8H2,1-2H3,(H4,25,26,28,29,30)
InChIKey
QEOJHQUQQHBIDV-UHFFFAOYSA-N
Compound name
6,7-bis(3-propylphenyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.2219 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22918 205.2
[M+Na]+ 421.21112 213.9
[M-H]- 397.21462 209.8
[M+NH4]+ 416.25572 210.9
[M+K]+ 437.18506 204.2
[M+H-H2O]+ 381.21916 192.0
[M+HCOO]- 443.22010 222.0
[M+CH3COO]- 457.23575 212.5
[M+Na-2H]- 419.19657 208.4
[M]+ 398.22135 204.7
[M]- 398.22245 204.7
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.