CID 5470130

Nsc697883

Structural Information

Molecular Formula
C19H21N5O
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N/N=C/3\CCCNC3=O)C
InChI
InChI=1S/C19H21N5O/c1-13-6-3-4-7-16(13)22-21-15-9-10-17(14(2)12-15)23-24-18-8-5-11-20-19(18)25/h3-4,6-7,9-10,12,23H,5,8,11H2,1-2H3,(H,20,25)/b22-21?,24-18+
InChIKey
PEOHINVCIYQQEL-IDFIRTQTSA-N
Compound name
(3E)-3-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]hydrazinylidene]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17462 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18190 179.2
[M+Na]+ 358.16384 183.9
[M-H]- 334.16734 189.6
[M+NH4]+ 353.20844 191.1
[M+K]+ 374.13778 179.1
[M+H-H2O]+ 318.17188 167.7
[M+HCOO]- 380.17282 205.3
[M+CH3COO]- 394.18847 224.9
[M+Na-2H]- 356.14929 184.1
[M]+ 335.17407 175.3
[M]- 335.17517 175.3
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.