CID 9578662

Ns00120994

Structural Information

Molecular Formula
C12H18N4O
SMILES
CC1C=CC(=CC1(C)O)/C=N/NC2=NCCN2
InChI
InChI=1S/C12H18N4O/c1-9-3-4-10(7-12(9,2)17)8-15-16-11-13-5-6-14-11/h3-4,7-9,17H,5-6H2,1-2H3,(H2,13,14,16)/b15-8+
InChIKey
KJPWTJKWAKLFDB-OVCLIPMQSA-N
Compound name
3-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-1,6-dimethylcyclohexa-2,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.155336 152.7
[M+Na]+ 257.137278 159.1
[M-H]- 233.140784 155.5
[M+NH4]+ 252.181883 170.4
[M+K]+ 273.111218 155.3
[M+H-H2O]+ 217.145320 144.8
[M+HCOO]- 279.146261 174.1
[M+CH3COO]- 293.161911 191.1
[M+Na-2H]- 255.122726 157.7
[M]+ 234.14751142 148.5
[M]- 234.14860858 148.5
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.