CID 15983184

Puquitinib mesylate dihydrate

Structural Information

Molecular Formula
C17H15N7
SMILES
C1CC1NC2=NC(=NC3=C2NC=N3)NC4=CC5=C(C=C4)N=CC=C5
InChI
InChI=1S/C17H15N7/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24)
InChIKey
QUTFBURLXCODBH-UHFFFAOYSA-N
Compound name
6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

143
Patents

317.1389 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14618 179.0
[M+Na]+ 340.12812 190.6
[M-H]- 316.13162 183.6
[M+NH4]+ 335.17272 184.5
[M+K]+ 356.10206 180.3
[M+H-H2O]+ 300.13616 168.6
[M+HCOO]- 362.13710 198.6
[M+CH3COO]- 376.15275 187.9
[M+Na-2H]- 338.11357 187.6
[M]+ 317.13835 180.2
[M]- 317.13945 180.2
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.