CID 3393607

Auramine g

Structural Information

Molecular Formula
C17H21N3
SMILES
CC1=C(C=CC(=C1)C(=N)C2=CC(=C(C=C2)NC)C)NC
InChI
InChI=1S/C17H21N3/c1-11-9-13(5-7-15(11)19-3)17(18)14-6-8-16(20-4)12(2)10-14/h5-10,18-20H,1-4H3
InChIKey
FTZOMWRBGAUFMT-UHFFFAOYSA-N
Compound name
N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

406
Patents

267.17355 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.180826 164.7
[M+Na]+ 290.162768 171.2
[M-H]- 266.166274 171.9
[M+NH4]+ 285.207373 180.8
[M+K]+ 306.136708 166.6
[M+H-H2O]+ 250.170810 156.7
[M+HCOO]- 312.171751 190.2
[M+CH3COO]- 326.187401 210.8
[M+Na-2H]- 288.148216 168.1
[M]+ 267.17300142 163.0
[M]- 267.17409858 163.0
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

patents stripe