CID 11971388

Dihydro-1,4-bis(phenylmethyl)-6-ethyl-6-(1-methylethyl)-1h-1,4-diazepine-5,7(2h,6h)-dione

Structural Information

Molecular Formula
C24H30N2O2
SMILES
CCC1(C(=O)N(CCN(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C24H30N2O2/c1-4-24(19(2)3)22(27)25(17-20-11-7-5-8-12-20)15-16-26(23(24)28)18-21-13-9-6-10-14-21/h5-14,19H,4,15-18H2,1-3H3
InChIKey
VNJRLBGLDNKTQN-UHFFFAOYSA-N
Compound name
1,4-dibenzyl-6-ethyl-6-propan-2-yl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.23074 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 193.0
[M+Na]+ 401.21996 197.2
[M-H]- 377.22346 200.1
[M+NH4]+ 396.26456 203.1
[M+K]+ 417.19390 196.2
[M+H-H2O]+ 361.22800 182.5
[M+HCOO]- 423.22894 207.7
[M+CH3COO]- 437.24459 220.9
[M+Na-2H]- 399.20541 192.1
[M]+ 378.23019 189.2
[M]- 378.23129 189.2
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.