CID 385282

Nsc676393

Structural Information

Molecular Formula
C15H16Cl2N6O
SMILES
C1CC1(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO
InChI
InChI=1S/C15H16Cl2N6O/c16-9-1-3-10(4-2-9)22-23-11-12(17)20-14(18)21-13(11)19-7-15(8-24)5-6-15/h1-4,24H,5-8H2,(H3,18,19,20,21)
InChIKey
ZDIKAPGPFSZXOG-UHFFFAOYSA-N
Compound name
[1-[[[2-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.07626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08354 178.8
[M+Na]+ 389.06548 188.9
[M-H]- 365.06898 186.5
[M+NH4]+ 384.11008 186.8
[M+K]+ 405.03942 181.9
[M+H-H2O]+ 349.07352 171.1
[M+HCOO]- 411.07446 196.4
[M+CH3COO]- 425.09011 188.7
[M+Na-2H]- 387.05093 184.9
[M]+ 366.07571 184.2
[M]- 366.07681 184.2
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.