CID 364926

Nsc631812

Structural Information

Molecular Formula
C18H14Cl2N4O
SMILES
CC1=C(N=C(N=C1C(=O)NC2=CC=C(C=C2)Cl)N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H14Cl2N4O/c1-10-15(11-3-2-4-13(20)9-11)23-18(21)24-16(10)17(25)22-14-7-5-12(19)6-8-14/h2-9H,1H3,(H,22,25)(H2,21,23,24)
InChIKey
NBLNWBPWBBLZIK-UHFFFAOYSA-N
Compound name
2-amino-6-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methylpyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.05447 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.06175 185.6
[M+Na]+ 395.04369 195.6
[M-H]- 371.04719 192.0
[M+NH4]+ 390.08829 195.8
[M+K]+ 411.01763 187.4
[M+H-H2O]+ 355.05173 176.1
[M+HCOO]- 417.05267 198.2
[M+CH3COO]- 431.06832 195.3
[M+Na-2H]- 393.02914 187.9
[M]+ 372.05392 187.9
[M]- 372.05502 187.9
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.