CID 3071103

4-(dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C14H18N4O
SMILES
CN(C)/C=C/1\C(=O)NC2=CC=CC=C2N=C1N(C)C
InChI
InChI=1S/C14H18N4O/c1-17(2)9-10-13(18(3)4)15-11-7-5-6-8-12(11)16-14(10)19/h5-9H,1-4H3,(H,16,19)/b10-9-
InChIKey
VSXKZWMVPXBGBV-KTKRTIGZSA-N
Compound name
(3Z)-4-(dimethylamino)-3-(dimethylaminomethylidene)-1H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.14807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15535 158.1
[M+Na]+ 281.13729 164.4
[M-H]- 257.14079 163.0
[M+NH4]+ 276.18189 173.1
[M+K]+ 297.11123 166.8
[M+H-H2O]+ 241.14533 149.8
[M+HCOO]- 303.14627 178.6
[M+CH3COO]- 317.16192 206.5
[M+Na-2H]- 279.12274 162.7
[M]+ 258.14752 155.6
[M]- 258.14862 155.6
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.