CID 3071178

4-methyl-n-(1-phenylethyl)-1,4-diazepan-1-amine

Structural Information

Molecular Formula
C14H23N3
SMILES
CC(C1=CC=CC=C1)NN2CCCN(CC2)C
InChI
InChI=1S/C14H23N3/c1-13(14-7-4-3-5-8-14)15-17-10-6-9-16(2)11-12-17/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKey
NIGQXJIPIUMGDP-UHFFFAOYSA-N
Compound name
4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.19648 156.5
[M+Na]+ 256.17842 165.8
[M+NH4]+ 251.22302 163.8
[M+K]+ 272.15236 160.6
[M-H]- 232.18192 159.8
[M+Na-2H]- 254.16387 163.3
[M]+ 233.18865 158.7
[M]- 233.18975 158.7
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.