CID 910983

6h-spiro[benzo[h]quinazoline-5,1'-cyclopentane]-4-amine

Structural Information

Molecular Formula
C16H17N3
SMILES
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC=N4)N
InChI
InChI=1S/C16H17N3/c17-15-13-14(18-10-19-15)12-6-2-1-5-11(12)9-16(13)7-3-4-8-16/h1-2,5-6,10H,3-4,7-9H2,(H2,17,18,19)
InChIKey
UEARIUHHXUNAIO-UHFFFAOYSA-N
Compound name
spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.14224 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 157.4
[M+Na]+ 274.131458 165.7
[M-H]- 250.134964 161.5
[M+NH4]+ 269.176063 177.3
[M+K]+ 290.105398 159.5
[M+H-H2O]+ 234.139500 148.1
[M+HCOO]- 296.140441 174.9
[M+CH3COO]- 310.156091 168.5
[M+Na-2H]- 272.116906 163.9
[M]+ 251.14169142 152.3
[M]- 251.14278858 152.3
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

No patent data available for this compound.