CID 3073339

148270-01-3

Structural Information

Molecular Formula
C19H30N4O
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)C2CCC(CC2)CN=C(N)N
InChI
InChI=1S/C19H30N4O/c1-19(2,3)15-8-10-16(11-9-15)23-17(24)14-6-4-13(5-7-14)12-22-18(20)21/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,24)(H4,20,21,22)
InChIKey
CFXPFKILFYXFJZ-UHFFFAOYSA-N
Compound name
N-(4-tert-butylphenyl)-4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.24197 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.24925 182.0
[M+Na]+ 353.23119 182.8
[M-H]- 329.23469 187.5
[M+NH4]+ 348.27579 194.5
[M+K]+ 369.20513 179.9
[M+H-H2O]+ 313.23923 173.4
[M+HCOO]- 375.24017 201.7
[M+CH3COO]- 389.25582 222.7
[M+Na-2H]- 351.21664 181.6
[M]+ 330.24142 174.5
[M]- 330.24252 174.5
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.