CID 483225

Chembl144839

Structural Information

Molecular Formula
C20H17N7
SMILES
C1C2=CC=CC=C2N(C3=CC=CC=C31)CC4=CN=C5C(=N4)C(=NC(=N5)N)N
InChI
InChI=1S/C20H17N7/c21-18-17-19(26-20(22)25-18)23-10-14(24-17)11-27-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)27/h1-8,10H,9,11H2,(H4,21,22,23,25,26)
InChIKey
VMBSXLVZCRYQJX-UHFFFAOYSA-N
Compound name
6-(9H-acridin-10-ylmethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

355.15454 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16182 187.1
[M+Na]+ 378.14376 196.9
[M-H]- 354.14726 189.0
[M+NH4]+ 373.18836 194.7
[M+K]+ 394.11770 187.4
[M+H-H2O]+ 338.15180 174.1
[M+HCOO]- 400.15274 200.6
[M+CH3COO]- 414.16839 194.8
[M+Na-2H]- 376.12921 196.0
[M]+ 355.15399 184.2
[M]- 355.15509 184.2
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