CID 19801656

Ds-ah-14

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CN1CCC2C1CCN2C(=O)N3C4=CC=CC=C4C(=O)NC5=C3N=CC=C5
InChI
InChI=1S/C20H21N5O2/c1-23-11-8-17-16(23)9-12-24(17)20(27)25-15-7-3-2-5-13(15)19(26)22-14-6-4-10-21-18(14)25/h2-7,10,16-17H,8-9,11-12H2,1H3,(H,22,26)
InChIKey
QBUPWEMXZYDTRC-UHFFFAOYSA-N
Compound name
11-(1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.16953 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.176806 190.0
[M+Na]+ 386.158748 197.8
[M-H]- 362.162254 193.7
[M+NH4]+ 381.203353 201.1
[M+K]+ 402.132688 193.4
[M+H-H2O]+ 346.166790 178.8
[M+HCOO]- 408.167731 199.2
[M+CH3COO]- 422.183381 197.4
[M+Na-2H]- 384.144196 187.5
[M]+ 363.16898142 184.3
[M]- 363.17007858 184.3
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