CID 5465546

Nsc652214

Structural Information

Molecular Formula
C24H19N3O4
SMILES
CC1=C(C(=O)N(N1)C(=O)C2=CC=C(C=C2)NC(=O)C)/C=C/3\C(=O)C=CC4=CC=CC=C43
InChI
InChI=1S/C24H19N3O4/c1-14-20(13-21-19-6-4-3-5-16(19)9-12-22(21)29)24(31)27(26-14)23(30)17-7-10-18(11-8-17)25-15(2)28/h3-13,26H,1-2H3,(H,25,28)/b21-13-
InChIKey
XRCKRMGRYQIBON-BKUYFWCQSA-N
Compound name
N-[4-[5-methyl-3-oxo-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1H-pyrazole-2-carbonyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.13754 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14482 199.1
[M+Na]+ 436.12676 206.9
[M-H]- 412.13026 206.7
[M+NH4]+ 431.17136 208.3
[M+K]+ 452.10070 199.9
[M+H-H2O]+ 396.13480 189.1
[M+HCOO]- 458.13574 216.7
[M+CH3COO]- 472.15139 226.0
[M+Na-2H]- 434.11221 197.4
[M]+ 413.13699 198.7
[M]- 413.13809 198.7
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.