CID 3068586

83621-98-1

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CCNCC(=O)N1C2=CC=CC=C2NC(=O)C3=C1C(=CN3C)C
InChI
InChI=1S/C17H20N4O2/c1-4-18-9-14(22)21-13-8-6-5-7-12(13)19-17(23)16-15(21)11(2)10-20(16)3/h5-8,10,18H,4,9H2,1-3H3,(H,19,23)
InChIKey
CSTYUMCTSVYPCP-UHFFFAOYSA-N
Compound name
10-[2-(ethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

312.15863 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 175.1
[M+Na]+ 335.14785 183.4
[M-H]- 311.15135 177.6
[M+NH4]+ 330.19245 188.7
[M+K]+ 351.12179 182.0
[M+H-H2O]+ 295.15589 166.6
[M+HCOO]- 357.15683 191.1
[M+CH3COO]- 371.17248 184.8
[M+Na-2H]- 333.13330 176.8
[M]+ 312.15808 173.6
[M]- 312.15918 173.6
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