CID 15955015

Schembl6268644

Structural Information

Molecular Formula
C22H18N6O
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC=C(C=C4)C5=CN=CO5)C
InChI
InChI=1S/C22H18N6O/c1-14-3-8-19(15(2)9-14)28-22-18(10-26-28)21(24-12-25-22)27-17-6-4-16(5-7-17)20-11-23-13-29-20/h3-13H,1-2H3,(H,24,25,27)
InChIKey
XVUOODZYHFUBDL-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

382.1542 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16148 190.9
[M+Na]+ 405.14342 202.2
[M-H]- 381.14692 200.7
[M+NH4]+ 400.18802 198.5
[M+K]+ 421.11736 195.1
[M+H-H2O]+ 365.15146 178.7
[M+HCOO]- 427.15240 210.9
[M+CH3COO]- 441.16805 201.2
[M+Na-2H]- 403.12887 193.7
[M]+ 382.15365 194.9
[M]- 382.15475 194.9
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

patents stripe