CID 38007

38349-07-4

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]+ 201.13863 144.8
[M+Na]+ 223.12057 154.8
[M-H]- 199.12407 146.6
[M+NH4]+ 218.16517 165.3
[M+K]+ 239.09451 149.4
[M+H-H2O]+ 183.12861 137.9
[M+HCOO]- 245.12955 163.0
[M+CH3COO]- 259.14520 157.4
[M+Na-2H]- 221.10602 150.6
[M]+ 200.13080 143.4
[M]- 200.13190 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.