CID 247251

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

Structural Information

Molecular Formula
C18H16N8
SMILES
C1=CC(=CC=C1C2=NC3=C(N=C(N=C3N=C2C4=CC=C(C=C4)N)N)N)N
InChI
InChI=1S/C18H16N8/c19-11-5-1-9(2-6-11)13-14(10-3-7-12(20)8-4-10)24-17-15(23-13)16(21)25-18(22)26-17/h1-8H,19-20H2,(H4,21,22,24,25,26)
InChIKey
SAYBETLMUROXMO-UHFFFAOYSA-N
Compound name
6,7-bis(4-aminophenyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

344.14978 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15706 183.8
[M+Na]+ 367.13900 193.9
[M-H]- 343.14250 189.1
[M+NH4]+ 362.18360 190.9
[M+K]+ 383.11294 185.2
[M+H-H2O]+ 327.14704 172.3
[M+HCOO]- 389.14798 203.9
[M+CH3COO]- 403.16363 192.6
[M+Na-2H]- 365.12445 190.2
[M]+ 344.14923 179.0
[M]- 344.15033 179.0
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

No patent data available for this compound.