CID 3073335

148269-99-2

Structural Information

Molecular Formula
C16H24N4O
SMILES
CC1=CC=C(C=C1)NC(=O)C2CCC(CC2)CN=C(N)N
InChI
InChI=1S/C16H24N4O/c1-11-2-8-14(9-3-11)20-15(21)13-6-4-12(5-7-13)10-19-16(17)18/h2-3,8-9,12-13H,4-7,10H2,1H3,(H,20,21)(H4,17,18,19)
InChIKey
NHTFUWWLZPCXBL-UHFFFAOYSA-N
Compound name
4-[(diaminomethylideneamino)methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.195 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20228 169.3
[M+Na]+ 311.18422 170.9
[M-H]- 287.18772 175.1
[M+NH4]+ 306.22882 183.3
[M+K]+ 327.15816 168.0
[M+H-H2O]+ 271.19226 160.5
[M+HCOO]- 333.19320 191.5
[M+CH3COO]- 347.20885 214.0
[M+Na-2H]- 309.16967 169.5
[M]+ 288.19445 161.3
[M]- 288.19555 161.3
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.