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

Adduct m/z Predicted CCS (Ų)
[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
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.