CID 3058267

1-aziridinecarboxamide, n-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1h-1,4-benzodiazepin-7-yl)-

Structural Information

Molecular Formula
C19H17FN4O2
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)NC(=O)N3CC3)C4=CC=CC=C4F
InChI
InChI=1S/C19H17FN4O2/c1-23-16-7-6-12(22-19(26)24-8-9-24)10-14(16)18(21-11-17(23)25)13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,26)
InChIKey
WSDUPOSYTDCEIF-UHFFFAOYSA-N
Compound name
N-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]aziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

352.13354 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14082 184.0
[M+Na]+ 375.12276 193.1
[M-H]- 351.12626 191.0
[M+NH4]+ 370.16736 188.9
[M+K]+ 391.09670 190.9
[M+H-H2O]+ 335.13080 173.0
[M+HCOO]- 397.13174 200.9
[M+CH3COO]- 411.14739 192.6
[M+Na-2H]- 373.10821 186.3
[M]+ 352.13299 182.5
[M]- 352.13409 182.5
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