CID 6381305

Nsc632034

Structural Information

Molecular Formula
C20H27N5O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C\2CCC/C2=N\NC(=O)C(=O)NN
InChI
InChI=1S/C20H27N5O4/c1-12-6-3-7-13(2)18(12)22-17(27)11-5-10-16(26)14-8-4-9-15(14)24-25-20(29)19(28)23-21/h3,6-7,14H,4-5,8-11,21H2,1-2H3,(H,22,27)(H,23,28)(H,25,29)/b24-15+
InChIKey
WYVUVYINWZFKOG-BUVRLJJBSA-N
Compound name
N-(2,6-dimethylphenyl)-5-[(2E)-2-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]cyclopentyl]-5-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2063 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21358 196.5
[M+Na]+ 424.19552 196.9
[M-H]- 400.19902 203.1
[M+NH4]+ 419.24012 207.4
[M+K]+ 440.16946 195.4
[M+H-H2O]+ 384.20356 187.0
[M+HCOO]- 446.20450 220.2
[M+CH3COO]- 460.22015 237.1
[M+Na-2H]- 422.18097 192.7
[M]+ 401.20575 193.2
[M]- 401.20685 193.2
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.