CID 486244

Chembl423200

Structural Information

Molecular Formula

C₁₉H₁₅N₇

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2CC4=CN=C5C(=N4)C(=NC(=N5)N)N

InChI

InChI=1S/C19H15N7/c20-17-16-18(25-19(21)24-17)22-9-11(23-16)10-26-14-7-3-1-5-12(14)13-6-2-4-8-15(13)26/h1-9H,10H2,(H4,20,21,22,24,25)

InChIKey

IEDDLXNDDDZXMU-UHFFFAOYSA-N

Compound name

6-(carbazol-9-ylmethyl)pteridine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 341.1389 Da
Monoisotopic Mass: 2.2
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]+	342.14618	180.4
[M+Na]+	364.12812	193.6
[M-H]-	340.13162	184.5
[M+NH4]+	359.17272	191.1
[M+K]+	380.10206	184.1
[M+H-H2O]+	324.13616	169.0
[M+HCOO]-	386.13710	199.6
[M+CH3COO]-	400.15275	190.6
[M+Na-2H]-	362.11357	189.6
[M]+	341.13835	182.5
[M]-	341.13945	182.5

Literature stripe

literature stripe

Patent stripe

patents stripe