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 157.2
[M+Na]+ 266.10123 168.9
[M-H]- 242.10473 157.7
[M+NH4]+ 261.14583 171.3
[M+K]+ 282.07517 166.9
[M+H-H2O]+ 226.10927 147.2
[M+HCOO]- 288.11021 171.8
[M+CH3COO]- 302.12586 168.1
[M+Na-2H]- 264.08668 161.2
[M]+ 243.11146 155.6
[M]- 243.11256 155.6
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