CID 362445

Nsc626392

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CCCCN1C(=O)C2C3CCCCC3C4=C(C2C1=O)NC5=CC=CC=C54
InChI
InChI=1S/C22H26N2O2/c1-2-3-12-24-21(25)18-14-9-5-4-8-13(14)17-15-10-6-7-11-16(15)23-20(17)19(18)22(24)26/h6-7,10-11,13-14,18-19,23H,2-5,8-9,12H2,1H3
InChIKey
GGXWBZNRHZUBAJ-UHFFFAOYSA-N
Compound name
4-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 186.7
[M+Na]+ 373.18865 194.4
[M-H]- 349.19215 189.4
[M+NH4]+ 368.23325 204.2
[M+K]+ 389.16259 186.4
[M+H-H2O]+ 333.19669 178.9
[M+HCOO]- 395.19763 197.8
[M+CH3COO]- 409.21328 195.4
[M+Na-2H]- 371.17410 184.5
[M]+ 350.19888 184.6
[M]- 350.19998 184.6
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.