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
3
Annotation Hits

0
References

32
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 158.8
[M+Na]+ 267.18317 168.8
[M-H]- 243.18667 161.8
[M+NH4]+ 262.22777 182.3
[M+K]+ 283.15711 164.2
[M+H-H2O]+ 227.19121 151.7
[M+HCOO]- 289.19215 174.5
[M+CH3COO]- 303.20780 170.9
[M+Na-2H]- 265.16862 162.7
[M]+ 244.19340 158.3
[M]- 244.19450 158.3
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