CID 5351359

Nsc624947

Structural Information

Molecular Formula
C19H15Cl2N5O2
SMILES
CC1=C(C(=NC(=O)N1)N/N=C/C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15Cl2N5O2/c1-11-16(18(27)24-15-8-6-14(21)7-9-15)17(25-19(28)23-11)26-22-10-12-2-4-13(20)5-3-12/h2-10H,1H3,(H,24,27)(H2,23,25,26,28)/b22-10+
InChIKey
NWOXODRDGLSXDB-LSHDLFTRSA-N
Compound name
N-(4-chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.06027 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.06755 195.6
[M+Na]+ 438.04949 204.7
[M-H]- 414.05299 202.5
[M+NH4]+ 433.09409 203.8
[M+K]+ 454.02343 196.4
[M+H-H2O]+ 398.05753 185.6
[M+HCOO]- 460.05847 210.1
[M+CH3COO]- 474.07412 228.5
[M+Na-2H]- 436.03494 199.1
[M]+ 415.05972 198.6
[M]- 415.06082 198.6
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.