CID 3786064

15063-92-0

Structural Information

Molecular Formula
C27H22ClN7
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=NC(=NC(=N3)Cl)NC4=CC=C(C=C4)NC5=CC=CC=C5
InChI
InChI=1S/C27H22ClN7/c28-25-33-26(31-23-15-11-21(12-16-23)29-19-7-3-1-4-8-19)35-27(34-25)32-24-17-13-22(14-18-24)30-20-9-5-2-6-10-20/h1-18,29-30H,(H2,31,32,33,34,35)
InChIKey
BXPUOVMANHPZOK-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(4-anilinophenyl)-6-chloro-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

479.16254 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.16982 219.7
[M+Na]+ 502.15176 237.9
[M+NH4]+ 497.19636 227.0
[M+K]+ 518.12570 225.9
[M-H]- 478.15526 232.1
[M+Na-2H]- 500.13721 235.4
[M]+ 479.16199 226.3
[M]- 479.16309 226.3
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