CID 3071179

4-methyl-n-(1-phenylpropan-2-yl)-1,4-diazepan-1-amine

Structural Information

Molecular Formula
C15H25N3
SMILES
CC(CC1=CC=CC=C1)NN2CCCN(CC2)C
InChI
InChI=1S/C15H25N3/c1-14(13-15-7-4-3-5-8-15)16-18-10-6-9-17(2)11-12-18/h3-5,7-8,14,16H,6,9-13H2,1-2H3
InChIKey
UKNQRLGXHFQEHI-UHFFFAOYSA-N
Compound name
4-methyl-N-(1-phenylpropan-2-yl)-1,4-diazepan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.20485 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.21213 158.5
[M+Na]+ 270.19407 160.2
[M-H]- 246.19757 162.1
[M+NH4]+ 265.23867 171.4
[M+K]+ 286.16801 161.5
[M+H-H2O]+ 230.20211 148.9
[M+HCOO]- 292.20305 175.1
[M+CH3COO]- 306.21870 199.0
[M+Na-2H]- 268.17952 161.4
[M]+ 247.20430 150.9
[M]- 247.20540 150.9
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.