CID 21324

Kb-227

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CC(C2=CC=CC=C2C1)NC3=NCCN3
InChI
InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H2,14,15,16)
InChIKey
YSFYKBDQXKNRPP-UHFFFAOYSA-N
Compound name
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

215.14224 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 147.6
[M+Na]+ 238.13146 152.7
[M-H]- 214.13496 150.3
[M+NH4]+ 233.17606 164.9
[M+K]+ 254.10540 147.8
[M+H-H2O]+ 198.13950 139.0
[M+HCOO]- 260.14044 165.7
[M+CH3COO]- 274.15609 158.3
[M+Na-2H]- 236.11691 153.0
[M]+ 215.14169 140.5
[M]- 215.14279 140.5
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

patents stripe