CID 11418136

Nd7001

Structural Information

Molecular Formula
C24H21N3O3
SMILES
CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3)OC)C4=CC(=CC=C4)C(=O)N
InChI
InChI=1S/C24H21N3O3/c1-27-20-13-21(30-2)18(15-7-4-3-5-8-15)12-19(20)23(26-14-22(27)28)16-9-6-10-17(11-16)24(25)29/h3-13H,14H2,1-2H3,(H2,25,29)
InChIKey
WYTGWTBNDXWMMB-UHFFFAOYSA-N
Compound name
3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

21
Patents

399.1583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 200.1
[M+Na]+ 422.14752 207.4
[M-H]- 398.15102 209.2
[M+NH4]+ 417.19212 208.3
[M+K]+ 438.12146 206.9
[M+H-H2O]+ 382.15556 189.7
[M+HCOO]- 444.15650 217.6
[M+CH3COO]- 458.17215 208.8
[M+Na-2H]- 420.13297 201.1
[M]+ 399.15775 198.2
[M]- 399.15885 198.2
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