CID 469434

Chembl144563

Structural Information

Molecular Formula
C23H27N7
SMILES
CC1=C(C(=C(C(=C1NCC2=CN=C3C(=C2C)C(=NC(=N3)N)N)C)C)N4C=CC=C4)C
InChI
InChI=1S/C23H27N7/c1-12-14(3)20(30-8-6-7-9-30)15(4)13(2)19(12)26-10-17-11-27-22-18(16(17)5)21(24)28-23(25)29-22/h6-9,11,26H,10H2,1-5H3,(H4,24,25,27,28,29)
InChIKey
ODRLNFBWPJLHHF-UHFFFAOYSA-N
Compound name
5-methyl-6-[(2,3,5,6-tetramethyl-4-pyrrol-1-ylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.2328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.24008 206.6
[M+Na]+ 424.22202 218.4
[M-H]- 400.22552 213.8
[M+NH4]+ 419.26662 215.0
[M+K]+ 440.19596 209.5
[M+H-H2O]+ 384.23006 195.3
[M+HCOO]- 446.23100 227.3
[M+CH3COO]- 460.24665 215.8
[M+Na-2H]- 422.20747 206.6
[M]+ 401.23225 209.1
[M]- 401.23335 209.1
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

No patent data available for this compound.