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]+ 248.212126 158.5
[M+Na]+ 270.194068 160.2
[M-H]- 246.197574 162.1
[M+NH4]+ 265.238673 171.4
[M+K]+ 286.168008 161.5
[M+H-H2O]+ 230.202110 148.9
[M+HCOO]- 292.203051 175.1
[M+CH3COO]- 306.218701 199.0
[M+Na-2H]- 268.179516 161.4
[M]+ 247.20430142 150.9
[M]- 247.20539858 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.