CID 3065638

108462-16-4

Structural Information

Molecular Formula
C22H24N4O
SMILES
CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC=CC=C4NCCN3C(=O)N2C)C
InChI
InChI=1S/C22H24N4O/c1-14-11-15(2)21(16(3)12-14)24-20-13-19-17-7-5-6-8-18(17)23-9-10-26(19)22(27)25(20)4/h5-8,11-13,23H,9-10H2,1-4H3
InChIKey
DWYCOKSQWUPCCY-UHFFFAOYSA-N
Compound name
3-methyl-2-(2,4,6-trimethylphenyl)imino-7,8-dihydro-6H-pyrimido[1,6-d][1,4]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.195 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 191.2
[M+Na]+ 383.18422 205.9
[M+NH4]+ 378.22882 197.8
[M+K]+ 399.15816 198.1
[M-H]- 359.18772 195.6
[M+Na-2H]- 381.16967 197.5
[M]+ 360.19445 194.7
[M]- 360.19555 194.7
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.