CID 348669

2,4-diaminopteridine

Structural Information

Molecular Formula

C₆H₆N₆

SMILES

C1=CN=C2C(=N1)C(=NC(=N2)N)N

InChI

InChI=1S/C6H6N6/c7-4-3-5(10-2-1-9-3)12-6(8)11-4/h1-2H,(H4,7,8,10,11,12)

InChIKey

CITCTUNIFJOTHI-UHFFFAOYSA-N

Compound name

pteridine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 19
References: 297
Patents: 162.0654 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.072676	132.7
[M+Na]+	185.054618	143.5
[M-H]-	161.058124	131.9
[M+NH4]+	180.099223	148.4
[M+K]+	201.028558	139.5
[M+H-H2O]+	145.062660	124.2
[M+HCOO]-	207.063601	153.7
[M+CH3COO]-	221.079251	145.2
[M+Na-2H]-	183.040066	143.5
[M]+	162.06485142	130.0
[M]-	162.06594858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe