CID 511440

Schembl5572782

Structural Information

Molecular Formula
C19H19ClN4O2
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C3(C)C
InChI
InChI=1S/C19H19ClN4O2/c1-11-9-13(20)7-8-15(11)22-18(26)21-14-6-4-5-12(10-14)16-19(2,3)17(25)24-23-16/h4-10H,1-3H3,(H,24,25)(H2,21,22,26)
InChIKey
CLAPMTDXTWVCGR-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-methylphenyl)-3-[3-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

370.11966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12694 186.7
[M+Na]+ 393.10888 195.6
[M-H]- 369.11238 193.5
[M+NH4]+ 388.15348 199.9
[M+K]+ 409.08282 188.5
[M+H-H2O]+ 353.11692 178.1
[M+HCOO]- 415.11786 203.3
[M+CH3COO]- 429.13351 217.3
[M+Na-2H]- 391.09433 187.7
[M]+ 370.11911 187.5
[M]- 370.12021 187.5
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