CID 45051816

Dtxsid801375593

Structural Information

Molecular Formula
C22H32N4
SMILES
CC1CC(NC2=CC=CC=C2NC(CC(NC3=CC=CC=C3N1)C)C)C
InChI
InChI=1S/C22H32N4/c1-15-13-16(2)24-21-11-7-8-12-22(21)26-18(4)14-17(3)25-20-10-6-5-9-19(20)23-15/h5-12,15-18,23-26H,13-14H2,1-4H3
InChIKey
CCFCTCXPHPHUSG-UHFFFAOYSA-N
Compound name
3,5,14,16-tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2627 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.26998 193.5
[M+Na]+ 375.25192 198.4
[M-H]- 351.25542 186.1
[M+NH4]+ 370.29652 197.9
[M+K]+ 391.22586 189.5
[M+H-H2O]+ 335.25996 187.2
[M+HCOO]- 397.26090 196.6
[M+CH3COO]- 411.27655 197.2
[M+Na-2H]- 373.23737 192.4
[M]+ 352.26215 180.0
[M]- 352.26325 180.0
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.