CID 3069542

Brn 4484063

Structural Information

Molecular Formula
C20H30N4
SMILES
CN1CCCCCC1=NC2=CC=CC=C2N=C3CCCCCN3C
InChI
InChI=1S/C20H30N4/c1-23-15-9-3-5-13-19(23)21-17-11-7-8-12-18(17)22-20-14-6-4-10-16-24(20)2/h7-8,11-12H,3-6,9-10,13-16H2,1-2H3
InChIKey
NZYJYIZAGIVTLE-UHFFFAOYSA-N
Compound name
1-methyl-N-[2-[(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 188.0
[M+Na]+ 349.23626 190.7
[M-H]- 325.23976 197.1
[M+NH4]+ 344.28086 197.6
[M+K]+ 365.21020 191.4
[M+H-H2O]+ 309.24430 177.8
[M+HCOO]- 371.24524 203.1
[M+CH3COO]- 385.26089 194.7
[M+Na-2H]- 347.22171 187.4
[M]+ 326.24649 177.6
[M]- 326.24759 177.6
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.