CID 55909

89141-65-1

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CC1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)C
InChI
InChI=1S/C17H15N3O3/c1-11-17(21)19(2)15-9-8-13(20(22)23)10-14(15)16(18-11)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
ASEJDTDWRXVAHE-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

309.11133 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 174.3
[M+Na]+ 332.10055 188.3
[M+NH4]+ 327.14515 180.9
[M+K]+ 348.07449 184.5
[M-H]- 308.10405 178.8
[M+Na-2H]- 330.08600 180.9
[M]+ 309.11078 177.6
[M]- 309.11188 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe