CID 43668

61467-30-9

Structural Information

Molecular Formula
C14H18N2
SMILES
CC1CC2=C(C3=CC=CC=C3N2CN1C)C
InChI
InChI=1S/C14H18N2/c1-10-8-14-11(2)12-6-4-5-7-13(12)16(14)9-15(10)3/h4-7,10H,8-9H2,1-3H3
InChIKey
JQEUCWFQSSDQFQ-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.154276 149.3
[M+Na]+ 237.136218 160.2
[M-H]- 213.139724 152.7
[M+NH4]+ 232.180823 170.2
[M+K]+ 253.110158 155.4
[M+H-H2O]+ 197.144260 142.1
[M+HCOO]- 259.145201 168.6
[M+CH3COO]- 273.160851 162.5
[M+Na-2H]- 235.121666 154.2
[M]+ 214.14645142 150.4
[M]- 214.14754858 150.4
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

No patent data available for this compound.