CID 366938

Nsc636101

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCC(=O)NN
InChI
InChI=1S/C16H25N3O2/c1-10(2)12-6-5-7-13(11(3)4)16(12)18-14(20)8-9-15(21)19-17/h5-7,10-11H,8-9,17H2,1-4H3,(H,18,20)(H,19,21)
InChIKey
BNXLXYARDFOKPG-UHFFFAOYSA-N
Compound name
N-[2,6-di(propan-2-yl)phenyl]-4-hydrazinyl-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 174.1
[M+Na]+ 314.18389 177.3
[M-H]- 290.18739 176.8
[M+NH4]+ 309.22849 188.5
[M+K]+ 330.15783 175.6
[M+H-H2O]+ 274.19193 166.5
[M+HCOO]- 336.19287 195.5
[M+CH3COO]- 350.20852 214.0
[M+Na-2H]- 312.16934 171.9
[M]+ 291.19412 172.7
[M]- 291.19522 172.7
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.