CID 488808

2-[2-amino-6-[[4-amino-6-[(2,6-dichlorophenyl)methyl]-5-methyl-pyrimidin-2-yl]amino]-3-pyridyl]acetonitrile

Structural Information

Molecular Formula
C19H17Cl2N7
SMILES
CC1=C(N=C(N=C1N)NC2=NC(=C(C=C2)CC#N)N)CC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C19H17Cl2N7/c1-10-15(9-12-13(20)3-2-4-14(12)21)25-19(28-17(10)23)27-16-6-5-11(7-8-22)18(24)26-16/h2-6H,7,9H2,1H3,(H5,23,24,25,26,27,28)
InChIKey
DPNDPVVYUWBJHG-UHFFFAOYSA-N
Compound name
2-[2-amino-6-[[4-amino-6-[(2,6-dichlorophenyl)methyl]-5-methylpyrimidin-2-yl]amino]pyridin-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.09225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.09953 201.8
[M+Na]+ 436.08147 213.0
[M-H]- 412.08497 203.8
[M+NH4]+ 431.12607 207.4
[M+K]+ 452.05541 203.6
[M+H-H2O]+ 396.08951 184.9
[M+HCOO]- 458.09045 210.1
[M+CH3COO]- 472.10610 207.8
[M+Na-2H]- 434.06692 201.5
[M]+ 413.09170 197.7
[M]- 413.09280 197.7
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.