CID 469429

Chembl423560

Structural Information

Molecular Formula
C19H22N6O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN3CCC4=CC(=C(C=C43)OC)OC)N)N
InChI
InChI=1S/C19H22N6O2/c1-10-12(8-22-18-16(10)17(20)23-19(21)24-18)9-25-5-4-11-6-14(26-2)15(27-3)7-13(11)25/h6-8H,4-5,9H2,1-3H3,(H4,20,21,22,23,24)
InChIKey
BZNVHZNLTGLZKQ-UHFFFAOYSA-N
Compound name
6-[(5,6-dimethoxy-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

2
References

0
Patents

366.18042 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18770 191.3
[M+Na]+ 389.16964 201.5
[M-H]- 365.17314 194.9
[M+NH4]+ 384.21424 201.8
[M+K]+ 405.14358 195.2
[M+H-H2O]+ 349.17768 180.7
[M+HCOO]- 411.17862 208.3
[M+CH3COO]- 425.19427 200.4
[M+Na-2H]- 387.15509 193.0
[M]+ 366.17987 193.4
[M]- 366.18097 193.4
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.