CID 3786064

1,3,5-triazine-2,4-diamine, 6-chloro-n,n'-bis(4-(phenylamino)phenyl)-

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
2
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 209.1
[M+Na]+ 502.15176 214.5
[M-H]- 478.15526 219.6
[M+NH4]+ 497.19636 210.8
[M+K]+ 518.12570 204.1
[M+H-H2O]+ 462.15980 194.3
[M+HCOO]- 524.16074 227.4
[M+CH3COO]- 538.17639 215.5
[M+Na-2H]- 500.13721 218.0
[M]+ 479.16199 207.7
[M]- 479.16309 207.7
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