CID 325817

64261-50-3

Structural Information

Molecular Formula
C15H16N4O
SMILES
CN1C2=C(CC3=CC=CC=C3C1=O)C(=NC=N2)N(C)C
InChI
InChI=1S/C15H16N4O/c1-18(2)13-12-8-10-6-4-5-7-11(10)15(20)19(3)14(12)17-9-16-13/h4-7,9H,8H2,1-3H3
InChIKey
SLVGJWQWWNVJGM-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-5-methyl-11H-pyrimido[4,5-c][2]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13242 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 160.9
[M+Na]+ 291.12164 170.1
[M-H]- 267.12514 165.6
[M+NH4]+ 286.16624 175.5
[M+K]+ 307.09558 170.5
[M+H-H2O]+ 251.12968 151.7
[M+HCOO]- 313.13062 179.2
[M+CH3COO]- 327.14627 172.3
[M+Na-2H]- 289.10709 167.8
[M]+ 268.13187 160.4
[M]- 268.13297 160.4
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.