CID 466054

Chembl299140

Structural Information

Molecular Formula
C18H16N6
SMILES
C1=CC=C2C(=C1)C=CC=C2NCC3=NC4=C(C=C3)N=C(N=C4N)N
InChI
InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)9-8-12(22-16)10-21-14-7-3-5-11-4-1-2-6-13(11)14/h1-9,21H,10H2,(H4,19,20,23,24)
InChIKey
UHHPRQVHWBEBHX-UHFFFAOYSA-N
Compound name
6-[(naphthalen-1-ylamino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.14365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15093 172.4
[M+Na]+ 339.13287 182.3
[M-H]- 315.13637 176.8
[M+NH4]+ 334.17747 183.5
[M+K]+ 355.10681 174.3
[M+H-H2O]+ 299.14091 161.5
[M+HCOO]- 361.14185 193.9
[M+CH3COO]- 375.15750 182.5
[M+Na-2H]- 337.11832 183.0
[M]+ 316.14310 171.1
[M]- 316.14420 171.1
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.