CID 6373567

Nsc632027

Structural Information

Molecular Formula
C19H25N5O4
SMILES
CC1=CC(=CC(=C1)NC(=O)CCC(=O)C\2CCC/C2=N\NC(=O)C(=O)NN)C
InChI
InChI=1S/C19H25N5O4/c1-11-8-12(2)10-13(9-11)21-17(26)7-6-16(25)14-4-3-5-15(14)23-24-19(28)18(27)22-20/h8-10,14H,3-7,20H2,1-2H3,(H,21,26)(H,22,27)(H,24,28)/b23-15+
InChIKey
QIDUHOSJLWZZER-HZHRSRAPSA-N
Compound name
N-(3,5-dimethylphenyl)-4-[(2E)-2-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]cyclopentyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.19064 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.19792 192.2
[M+Na]+ 410.17986 193.1
[M-H]- 386.18336 199.0
[M+NH4]+ 405.22446 203.7
[M+K]+ 426.15380 191.8
[M+H-H2O]+ 370.18790 182.9
[M+HCOO]- 432.18884 216.3
[M+CH3COO]- 446.20449 234.2
[M+Na-2H]- 408.16531 188.9
[M]+ 387.19009 188.6
[M]- 387.19119 188.6
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.