CID 488183

1,3-cyclopentadiene-1,3-diamine, n1-butyl-n3-(phenylmethyl)-

Structural Information

Molecular Formula
C17H25N3
SMILES
CCCCNCNC1=CC(=CC1)NCC2=CC=CC=C2
InChI
InChI=1S/C17H25N3/c1-2-3-11-18-14-20-17-10-9-16(12-17)19-13-15-7-5-4-6-8-15/h4-9,12,18-20H,2-3,10-11,13-14H2,1H3
InChIKey
LYHBHPNXPRTIDQ-UHFFFAOYSA-N
Compound name
3-N-benzyl-1-N-(butylaminomethyl)cyclopenta-1,3-diene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.20483 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.21211 163.7
[M+Na]+ 294.19405 167.2
[M-H]- 270.19755 169.6
[M+NH4]+ 289.23865 180.6
[M+K]+ 310.16799 162.6
[M+H-H2O]+ 254.20209 155.1
[M+HCOO]- 316.20303 190.9
[M+CH3COO]- 330.21868 207.0
[M+Na-2H]- 292.17950 168.5
[M]+ 271.20428 162.9
[M]- 271.20538 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.