CID 6534050

205381-77-7

Structural Information

Molecular Formula
C19H18Cl2N6
SMILES
CN(C)/C=N\C1=NC(=NC(=N1)NC2=CC=CC=C2)CC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C19H18Cl2N6/c1-27(2)12-22-18-24-17(11-14-15(20)9-6-10-16(14)21)25-19(26-18)23-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,23,24,25,26)/b22-12-
InChIKey
PACABDGNZHICDW-UUYOSTAYSA-N
Compound name
N'-[4-anilino-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.097 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10428 194.9
[M+Na]+ 423.08622 203.4
[M-H]- 399.08972 202.1
[M+NH4]+ 418.13082 203.3
[M+K]+ 439.06016 195.9
[M+H-H2O]+ 383.09426 182.6
[M+HCOO]- 445.09520 209.8
[M+CH3COO]- 459.11085 203.9
[M+Na-2H]- 421.07167 199.8
[M]+ 400.09645 199.8
[M]- 400.09755 199.8
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.