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

41
Patents

242.1783 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 157.2
[M+Na]+ 265.167518 168.3
[M-H]- 241.171024 160.6
[M+NH4]+ 260.212123 180.9
[M+K]+ 281.141458 163.5
[M+H-H2O]+ 225.175560 150.1
[M+HCOO]- 287.176501 174.4
[M+CH3COO]- 301.192151 169.9
[M+Na-2H]- 263.152966 162.2
[M]+ 242.17775142 158.2
[M]- 242.17884858 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