CID 3069546

Brn 4526981

Structural Information

Molecular Formula
C20H30N4
SMILES
CN1CCCCCC1=NC2=CC(=CC=C2)N=C3CCCCCN3C
InChI
InChI=1S/C20H30N4/c1-23-14-7-3-5-12-19(23)21-17-10-9-11-18(16-17)22-20-13-6-4-8-15-24(20)2/h9-11,16H,3-8,12-15H2,1-2H3
InChIKey
NSSSNQWAMSIIAT-UHFFFAOYSA-N
Compound name
1-methyl-N-[3-[(1-methylazepan-2-ylidene)amino]phenyl]azepan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.24704 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.25432 193.8
[M+Na]+ 349.23626 199.4
[M+NH4]+ 344.28086 198.6
[M+K]+ 365.21020 194.3
[M-H]- 325.23976 197.9
[M+Na-2H]- 347.22171 197.9
[M]+ 326.24649 195.7
[M]- 326.24759 195.7
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.