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

3
Patents

363.16953 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17681 190.0
[M+Na]+ 386.15875 197.8
[M-H]- 362.16225 193.7
[M+NH4]+ 381.20335 201.1
[M+K]+ 402.13269 193.4
[M+H-H2O]+ 346.16679 178.8
[M+HCOO]- 408.16773 199.2
[M+CH3COO]- 422.18338 197.4
[M+Na-2H]- 384.14420 187.5
[M]+ 363.16898 184.3
[M]- 363.17008 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