CID 38007

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

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=CC2=C(C=C1)N3CNCCC3=C2C
InChI
InChI=1S/C13H16N2/c1-9-3-4-13-11(7-9)10(2)12-5-6-14-8-15(12)13/h3-4,7,14H,5-6,8H2,1-2H3
InChIKey
RHOWSXIKPLWSFK-UHFFFAOYSA-N
Compound name
5,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 144.8
[M+Na]+ 223.120568 154.8
[M-H]- 199.124074 146.6
[M+NH4]+ 218.165173 165.3
[M+K]+ 239.094508 149.4
[M+H-H2O]+ 183.128610 137.9
[M+HCOO]- 245.129551 163.0
[M+CH3COO]- 259.145201 157.4
[M+Na-2H]- 221.106016 150.6
[M]+ 200.13080142 143.4
[M]- 200.13189858 143.4
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.