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]+ 252.14952 157.4
[M+Na]+ 274.13146 165.7
[M-H]- 250.13496 161.5
[M+NH4]+ 269.17606 177.3
[M+K]+ 290.10540 159.5
[M+H-H2O]+ 234.13950 148.1
[M+HCOO]- 296.14044 174.9
[M+CH3COO]- 310.15609 168.5
[M+Na-2H]- 272.11691 163.9
[M]+ 251.14169 152.3
[M]- 251.14279 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.