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 193.0
[M+Na]+ 383.18422 203.3
[M-H]- 359.18772 199.6
[M+NH4]+ 378.22882 203.8
[M+K]+ 399.15816 200.2
[M+H-H2O]+ 343.19226 182.6
[M+HCOO]- 405.19320 209.6
[M+CH3COO]- 419.20885 202.4
[M+Na-2H]- 381.16967 196.6
[M]+ 360.19445 191.4
[M]- 360.19555 191.4
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.