CID 385284

Nsc676395

Structural Information

Molecular Formula
C23H24Cl2N6O2
SMILES
C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO)OCC4=CC=CC=C4
InChI
InChI=1S/C23H24Cl2N6O2/c24-16-6-8-17(9-7-16)30-31-19-20(25)28-22(26)29-21(19)27-13-23(14-32)10-18(11-23)33-12-15-4-2-1-3-5-15/h1-9,18,32H,10-14H2,(H3,26,27,28,29)
InChIKey
DDTJXELLKSUNLX-UHFFFAOYSA-N
Compound name
[1-[[[2-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-phenylmethoxycyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

486.1338 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14108 211.1
[M+Na]+ 509.12302 216.7
[M-H]- 485.12652 219.7
[M+NH4]+ 504.16762 212.0
[M+K]+ 525.09696 213.1
[M+H-H2O]+ 469.13106 193.3
[M+HCOO]- 531.13200 224.8
[M+CH3COO]- 545.14765 246.8
[M+Na-2H]- 507.10847 214.3
[M]+ 486.13325 223.0
[M]- 486.13435 223.0
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.