CID 469427

Chembl359454

Structural Information

Molecular Formula
C18H20N6O
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN3CCC4=C3C=CC=C4OC)N)N
InChI
InChI=1S/C18H20N6O/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24-7-6-12-13(24)4-3-5-14(12)25-2/h3-5,8H,6-7,9H2,1-2H3,(H4,19,20,21,22,23)
InChIKey
JDXBLGTZYYEWKD-UHFFFAOYSA-N
Compound name
6-[(4-methoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.16986 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17714 182.8
[M+Na]+ 359.15908 192.9
[M-H]- 335.16258 186.2
[M+NH4]+ 354.20368 194.4
[M+K]+ 375.13302 186.0
[M+H-H2O]+ 319.16712 172.3
[M+HCOO]- 381.16806 200.2
[M+CH3COO]- 395.18371 192.3
[M+Na-2H]- 357.14453 185.7
[M]+ 336.16931 182.9
[M]- 336.17041 182.9
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.