CID 456205

Chembl23867

Structural Information

Molecular Formula
C19H18N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=CC4=CC=CC=C43)N)N
InChI
InChI=1S/C19H18N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10,22H,9H2,1H3,(H4,20,21,23,24,25)
InChIKey
NKRNRLZUZGBLHL-UHFFFAOYSA-N
Compound name
5-methyl-6-[(naphthalen-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

330.1593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16658 179.0
[M+Na]+ 353.14852 189.4
[M-H]- 329.15202 183.7
[M+NH4]+ 348.19312 189.9
[M+K]+ 369.12246 181.3
[M+H-H2O]+ 313.15656 168.1
[M+HCOO]- 375.15750 200.2
[M+CH3COO]- 389.17315 189.0
[M+Na-2H]- 351.13397 188.2
[M]+ 330.15875 178.5
[M]- 330.15985 178.5
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.