CID 469430

Chembl358297

Structural Information

Molecular Formula
C18H18N6O
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN3C=CC4=C3C=CC(=C4)OC)N)N
InChI
InChI=1S/C18H18N6O/c1-10-12(8-21-17-15(10)16(19)22-18(20)23-17)9-24-6-5-11-7-13(25-2)3-4-14(11)24/h3-8H,9H2,1-2H3,(H4,19,20,21,22,23)
InChIKey
BNMADWNUQHXTNU-UHFFFAOYSA-N
Compound name
6-[(5-methoxyindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

334.1542 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16148 181.6
[M+Na]+ 357.14342 193.7
[M-H]- 333.14692 185.9
[M+NH4]+ 352.18802 193.5
[M+K]+ 373.11736 186.4
[M+H-H2O]+ 317.15146 171.2
[M+HCOO]- 379.15240 201.7
[M+CH3COO]- 393.16805 192.2
[M+Na-2H]- 355.12887 186.5
[M]+ 334.15365 184.5
[M]- 334.15475 184.5
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.