CID 43667

61467-28-5

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 148.7
[M+Na]+ 237.13622 163.8
[M+NH4]+ 232.18082 158.8
[M+K]+ 253.11016 157.2
[M-H]- 213.13972 151.8
[M+Na-2H]- 235.12167 154.4
[M]+ 214.14645 151.9
[M]- 214.14755 151.9
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

No patent data available for this compound.