CID 453299

133626-88-7

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CCC(=O)N1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)CC=C
InChI
InChI=1S/C18H17N3O2/c1-3-12-20-14-9-5-6-10-15(14)21(16(22)4-2)17-13(18(20)23)8-7-11-19-17/h3,5-11H,1,4,12H2,2H3
InChIKey
FIEYWLUOTCEPCN-UHFFFAOYSA-N
Compound name
11-propanoyl-6-prop-2-enylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 171.2
[M+Na]+ 330.12130 179.9
[M-H]- 306.12480 174.1
[M+NH4]+ 325.16590 183.7
[M+K]+ 346.09524 178.3
[M+H-H2O]+ 290.12934 162.2
[M+HCOO]- 352.13028 186.6
[M+CH3COO]- 366.14593 181.2
[M+Na-2H]- 328.10675 175.7
[M]+ 307.13153 170.4
[M]- 307.13263 170.4
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.