CID 453288

133626-80-9

Structural Information

Molecular Formula
C16H18N4O
SMILES
CCN1C2=C(C=C(C=C2)CN)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C16H18N4O/c1-3-20-13-7-6-11(10-17)9-14(13)19(2)16(21)12-5-4-8-18-15(12)20/h4-9H,3,10,17H2,1-2H3
InChIKey
SZGWHRPEDQDLTG-UHFFFAOYSA-N
Compound name
8-(aminomethyl)-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.14807 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15535 167.7
[M+Na]+ 305.13729 177.2
[M-H]- 281.14079 170.7
[M+NH4]+ 300.18189 181.3
[M+K]+ 321.11123 176.0
[M+H-H2O]+ 265.14533 158.6
[M+HCOO]- 327.14627 184.6
[M+CH3COO]- 341.16192 178.2
[M+Na-2H]- 303.12274 172.9
[M]+ 282.14752 165.8
[M]- 282.14862 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.