CID 3508054

Bmh-21

Structural Information

Molecular Formula
C21H20N4O2
SMILES
CN(C)CCNC(=O)C1=CC=CN2C1=NC3=CC4=CC=CC=C4C=C3C2=O
InChI
InChI=1S/C21H20N4O2/c1-24(2)11-9-22-20(26)16-8-5-10-25-19(16)23-18-13-15-7-4-3-6-14(15)12-17(18)21(25)27/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,26)
InChIKey
BXYDVWIAGDJBEC-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

57
Patents

360.15863 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 184.5
[M+Na]+ 383.14785 193.3
[M-H]- 359.15135 189.6
[M+NH4]+ 378.19245 197.3
[M+K]+ 399.12179 188.0
[M+H-H2O]+ 343.15589 173.7
[M+HCOO]- 405.15683 204.8
[M+CH3COO]- 419.17248 194.6
[M+Na-2H]- 381.13330 193.1
[M]+ 360.15808 188.9
[M]- 360.15918 188.9
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.