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

2
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

patents stripe