CID 472619

11-cyclopropyl-6-methyl-6,11-dihydro-5h-pyridazino[3,4-e]pyrido[3,2-b][1,4]diazepin-5-one

Structural Information

Molecular Formula
C14H13N5O
SMILES
CN1C2=C(N=CC=C2)N(C3=C(C1=O)C=CN=N3)C4CC4
InChI
InChI=1S/C14H13N5O/c1-18-11-3-2-7-15-13(11)19(9-4-5-9)12-10(14(18)20)6-8-16-17-12/h2-3,6-9H,4-5H2,1H3
InChIKey
ZYFKEWIJDKTYMP-UHFFFAOYSA-N
Compound name
2-cyclopropyl-10-methyl-2,4,5,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.112 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11928 176.8
[M+Na]+ 290.10122 188.6
[M-H]- 266.10472 180.4
[M+NH4]+ 285.14582 183.7
[M+K]+ 306.07516 185.0
[M+H-H2O]+ 250.10926 165.2
[M+HCOO]- 312.11020 191.5
[M+CH3COO]- 326.12585 185.9
[M+Na-2H]- 288.08667 182.2
[M]+ 267.11145 176.5
[M]- 267.11255 176.5
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.