CID 3071178

87498-58-6

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]+ 234.196476 154.2
[M+Na]+ 256.178418 156.3
[M-H]- 232.181924 158.0
[M+NH4]+ 251.223023 167.6
[M+K]+ 272.152358 157.8
[M+H-H2O]+ 216.186460 144.8
[M+HCOO]- 278.187401 171.1
[M+CH3COO]- 292.203051 196.2
[M+Na-2H]- 254.163866 157.6
[M]+ 233.18865142 146.3
[M]- 233.18974858 146.3
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.