CID 207713

Brn 0625716

Structural Information

Molecular Formula
C18H22N4O
SMILES
CC1=NC2=C(C=C1)C(=O)N(C3=CC=CC=C3N2)CCCN(C)C
InChI
InChI=1S/C18H22N4O/c1-13-9-10-14-17(19-13)20-15-7-4-5-8-16(15)22(18(14)23)12-6-11-21(2)3/h4-5,7-10H,6,11-12H2,1-3H3,(H,19,20)
InChIKey
LAESGTRWPMCJCB-UHFFFAOYSA-N
Compound name
6-[3-(dimethylamino)propyl]-2-methyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.17935 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18663 174.7
[M+Na]+ 333.16857 182.2
[M-H]- 309.17207 177.6
[M+NH4]+ 328.21317 187.1
[M+K]+ 349.14251 181.3
[M+H-H2O]+ 293.17661 165.2
[M+HCOO]- 355.17755 190.6
[M+CH3COO]- 369.19320 184.2
[M+Na-2H]- 331.15402 179.7
[M]+ 310.17880 173.4
[M]- 310.17990 173.4
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.