CID 65979

Indanazoline

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CC2=C(C1)C(=CC=C2)NC3=NCCN3
InChI
InChI=1S/C12H15N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15)
InChIKey
KUCWWEPJRBANHL-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

920
Patents

201.1266 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.2
[M+Na]+ 224.11582 155.7
[M+NH4]+ 219.16042 154.2
[M+K]+ 240.08976 152.5
[M-H]- 200.11932 148.3
[M+Na-2H]- 222.10127 151.3
[M]+ 201.12605 147.3
[M]- 201.12715 147.3
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

patents stripe