CID 43667

Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-2,5,7-trimethyl-

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

CC1=CC2=C(C=C1)N3CN(CCC3=C2C)C

InChI

InChI=1S/C14H18N2/c1-10-4-5-14-12(8-10)11(2)13-6-7-15(3)9-16(13)14/h4-5,8H,6-7,9H2,1-3H3

InChIKey

DJHRDZZCULOFNW-UHFFFAOYSA-N

Compound name

2,5,7-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.