CID 6110526

Nsc630326

Structural Information

Molecular Formula
C20H23ClN4O3
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)C\2CCC/C2=N\NC(=O)CC#N
InChI
InChI=1S/C20H23ClN4O3/c1-13-12-14(21)8-9-16(13)23-19(27)7-3-6-18(26)15-4-2-5-17(15)24-25-20(28)10-11-22/h8-9,12,15H,2-7,10H2,1H3,(H,23,27)(H,25,28)/b24-17+
InChIKey
ZEPGRVWENMDWMZ-JJIBRWJFSA-N
Compound name
N-(4-chloro-2-methylphenyl)-5-[(2E)-2-[(2-cyanoacetyl)hydrazinylidene]cyclopentyl]-5-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.14587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15315 203.2
[M+Na]+ 425.13509 209.0
[M-H]- 401.13859 208.7
[M+NH4]+ 420.17969 214.5
[M+K]+ 441.10903 202.9
[M+H-H2O]+ 385.14313 188.8
[M+HCOO]- 447.14407 218.2
[M+CH3COO]- 461.15972 237.3
[M+Na-2H]- 423.12054 199.1
[M]+ 402.14532 199.1
[M]- 402.14642 199.1
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.