CID 49423

67195-39-5

Structural Information

Molecular Formula
C24H34N4O
SMILES
CCN(CC)CCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCCN(C)C
InChI
InChI=1S/C24H34N4O/c1-5-26(6-2)18-19-27-21-13-8-7-12-20(21)24(29)28(17-11-16-25(3)4)23-15-10-9-14-22(23)27/h7-10,12-15H,5-6,11,16-19H2,1-4H3
InChIKey
ZCYCQJJEHAHHQI-UHFFFAOYSA-N
Compound name
11-[2-(diethylamino)ethyl]-5-[3-(dimethylamino)propyl]benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.27325 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.28053 199.4
[M+Na]+ 417.26247 203.7
[M-H]- 393.26597 205.0
[M+NH4]+ 412.30707 210.5
[M+K]+ 433.23641 204.3
[M+H-H2O]+ 377.27051 189.2
[M+HCOO]- 439.27145 217.4
[M+CH3COO]- 453.28710 237.5
[M+Na-2H]- 415.24792 201.5
[M]+ 394.27270 201.6
[M]- 394.27380 201.6
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

No patent data available for this compound.