CID 91784

56275-25-3

Structural Information

Molecular Formula
C20H22ClN7O3
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)NC3=NC(=NC(=N3)Cl)N(CCO)CCO
InChI
InChI=1S/C20H22ClN7O3/c1-13-2-7-17(31)16(12-13)27-26-15-5-3-14(4-6-15)22-19-23-18(21)24-20(25-19)28(8-10-29)9-11-30/h2-7,12,29-31H,8-11H2,1H3,(H,22,23,24,25)
InChIKey
XIUWOZNEOQZJBS-UHFFFAOYSA-N
Compound name
2-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

443.14728 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15456 204.8
[M+Na]+ 466.13650 217.4
[M+NH4]+ 461.18110 209.0
[M+K]+ 482.11044 210.7
[M-H]- 442.14000 210.4
[M+Na-2H]- 464.12195 213.2
[M]+ 443.14673 208.1
[M]- 443.14783 208.1
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