CID 10298

Auramine

Structural Information

Molecular Formula
C17H21N3
SMILES
CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3
InChIKey
JPIYZTWMUGTEHX-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

391
References

19729
Patents

267.17355 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 164.9
[M+Na]+ 290.16277 169.8
[M-H]- 266.16627 174.3
[M+NH4]+ 285.20737 181.6
[M+K]+ 306.13671 167.9
[M+H-H2O]+ 250.17081 156.1
[M+HCOO]- 312.17175 191.5
[M+CH3COO]- 326.18740 215.0
[M+Na-2H]- 288.14822 168.3
[M]+ 267.17300 164.9
[M]- 267.17410 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe