CID 372554

Nsc647771

Structural Information

Molecular Formula
C23H35ClN4O2
SMILES
CC1CC(=O)NC2=C(N1C(=O)CN3CCC(CC3)CCCCN(C)C)C=C(C=C2)Cl
InChI
InChI=1S/C23H35ClN4O2/c1-17-14-22(29)25-20-8-7-19(24)15-21(20)28(17)23(30)16-27-12-9-18(10-13-27)6-4-5-11-26(2)3/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H,25,29)
InChIKey
VIDKORWVZTYDMJ-UHFFFAOYSA-N
Compound name
7-chloro-5-[2-[4-[4-(dimethylamino)butyl]piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.24484 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.25212 205.9
[M+Na]+ 457.23406 209.2
[M-H]- 433.23756 208.5
[M+NH4]+ 452.27866 212.7
[M+K]+ 473.20800 207.8
[M+H-H2O]+ 417.24210 194.3
[M+HCOO]- 479.24304 211.3
[M+CH3COO]- 493.25869 233.0
[M+Na-2H]- 455.21951 202.0
[M]+ 434.24429 201.9
[M]- 434.24539 201.9
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.