CID 3069940

Pyrazolo(4,3-e)pyrido(3,2-b)(1,4)diazepin-10(1h)-one, 4,9-dihydro-1,3,9-trimethyl-

Structural Information

Molecular Formula
C12H13N5O
SMILES
CC1=NN(C2=C1NC3=C(C=CC=N3)N(C2=O)C)C
InChI
InChI=1S/C12H13N5O/c1-7-9-10(17(3)15-7)12(18)16(2)8-5-4-6-13-11(8)14-9/h4-6H,1-3H3,(H,13,14)
InChIKey
INZVHABDRPORKM-UHFFFAOYSA-N
Compound name
4,6,9-trimethyl-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

243.11201 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11929 155.4
[M+Na]+ 266.10123 167.1
[M+NH4]+ 261.14583 161.1
[M+K]+ 282.07517 164.6
[M-H]- 242.10473 154.6
[M+Na-2H]- 264.08668 158.6
[M]+ 243.11146 156.7
[M]- 243.11256 156.7
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

patents stripe