CID 68162365

5h-cyclopenta[h]quinazoline, 6,7,8,9-tetrahydro-7,7,8,9,9-pentamethyl-

Structural Information

Molecular Formula
C16H22N2
SMILES
CC1C(C2=C(C1(C)C)C3=NC=NC=C3CC2)(C)C
InChI
InChI=1S/C16H22N2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h8-10H,6-7H2,1-5H3
InChIKey
YVFVTDLZSKSFCQ-UHFFFAOYSA-N
Compound name
7,7,8,9,9-pentamethyl-6,8-dihydro-5H-cyclopenta[h]quinazoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

242.1783 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 157.2
[M+Na]+ 265.16752 168.3
[M-H]- 241.17102 160.6
[M+NH4]+ 260.21212 180.9
[M+K]+ 281.14146 163.5
[M+H-H2O]+ 225.17556 150.1
[M+HCOO]- 287.17650 174.4
[M+CH3COO]- 301.19215 169.9
[M+Na-2H]- 263.15297 162.2
[M]+ 242.17775 158.2
[M]- 242.17885 158.2
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