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
3
Annotation Hits

7
References

977
Patents

201.1266 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 143.4
[M+Na]+ 224.115818 149.8
[M-H]- 200.119324 146.9
[M+NH4]+ 219.160423 163.2
[M+K]+ 240.089758 145.6
[M+H-H2O]+ 184.123860 135.5
[M+HCOO]- 246.124801 164.1
[M+CH3COO]- 260.140451 155.3
[M+Na-2H]- 222.101266 147.5
[M]+ 201.12605142 138.3
[M]- 201.12714858 138.3
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