CID 68162000

1392325-86-8

Structural Information

Molecular Formula
C16H24N2
SMILES
CC1C(C2CCC3=CN=CN=C3C2C1(C)C)(C)C
InChI
InChI=1S/C16H24N2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h8-10,12-13H,6-7H2,1-5H3
InChIKey
QKABJOXIAJBLQX-UHFFFAOYSA-N
Compound name
7,7,8,9,9-pentamethyl-6,6a,8,9a-tetrahydro-5H-cyclopenta[h]quinazoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

244.19395 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 159.8
[M+Na]+ 267.18317 172.8
[M+NH4]+ 262.22777 172.4
[M+K]+ 283.15711 162.9
[M-H]- 243.18667 162.4
[M+Na-2H]- 265.16862 166.2
[M]+ 244.19340 162.9
[M]- 244.19450 162.9
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