CID 374400

Nsc652110

Structural Information

Molecular Formula
C30H40N4O4
SMILES
CC1(CN=CC(C(=O)NC(CN=CC(C(=O)N1)(C)OCC2=CC=CC=C2)(C)C)(C)OCC3=CC=CC=C3)C
InChI
InChI=1S/C30H40N4O4/c1-27(2)19-31-21-30(6,38-18-24-15-11-8-12-16-24)26(36)34-28(3,4)20-32-22-29(5,25(35)33-27)37-17-23-13-9-7-10-14-23/h7-16,21-22H,17-20H2,1-6H3,(H,33,35)(H,34,36)
InChIKey
SEGFYKICHJQPLU-UHFFFAOYSA-N
Compound name
3,3,6,10,10,13-hexamethyl-6,13-bis(phenylmethoxy)-1,4,8,11-tetrazacyclotetradeca-7,14-diene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.30493 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.31221 223.7
[M+Na]+ 543.29415 229.8
[M-H]- 519.29765 224.2
[M+NH4]+ 538.33875 227.5
[M+K]+ 559.26809 225.3
[M+H-H2O]+ 503.30219 214.7
[M+HCOO]- 565.30313 231.8
[M+CH3COO]- 579.31878 233.0
[M+Na-2H]- 541.27960 224.4
[M]+ 520.30438 219.9
[M]- 520.30548 219.9
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.