CID 488740

Schembl1182254

Structural Information

Molecular Formula
C21H18Cl2N6
SMILES
CN(C)C=NC1=NC(=NC(=C1)CC2=C(C=CC=C2Cl)Cl)NC3=CC=C(C=C3)C#N
InChI
InChI=1S/C21H18Cl2N6/c1-29(2)13-25-20-11-16(10-17-18(22)4-3-5-19(17)23)27-21(28-20)26-15-8-6-14(12-24)7-9-15/h3-9,11,13H,10H2,1-2H3,(H,26,27,28)
InChIKey
SGGMAZQTKLUTDE-UHFFFAOYSA-N
Compound name
N'-[2-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]pyrimidin-4-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

424.097 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10428 205.2
[M+Na]+ 447.08622 215.4
[M-H]- 423.08972 210.7
[M+NH4]+ 442.13082 212.6
[M+K]+ 463.06016 206.4
[M+H-H2O]+ 407.09426 187.5
[M+HCOO]- 469.09520 217.1
[M+CH3COO]- 483.11085 212.1
[M+Na-2H]- 445.07167 206.6
[M]+ 424.09645 204.4
[M]- 424.09755 204.4
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