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]+ 245.201226 158.8
[M+Na]+ 267.183168 168.8
[M-H]- 243.186674 161.8
[M+NH4]+ 262.227773 182.3
[M+K]+ 283.157108 164.2
[M+H-H2O]+ 227.191210 151.7
[M+HCOO]- 289.192151 174.5
[M+CH3COO]- 303.207801 170.9
[M+Na-2H]- 265.168616 162.7
[M]+ 244.19340142 158.3
[M]- 244.19449858 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