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
1
Annotation Hits

0
References

473
Patents

267.17355 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 164.7
[M+Na]+ 290.16277 171.2
[M-H]- 266.16627 171.9
[M+NH4]+ 285.20737 180.8
[M+K]+ 306.13671 166.6
[M+H-H2O]+ 250.17081 156.7
[M+HCOO]- 312.17175 190.2
[M+CH3COO]- 326.18740 210.8
[M+Na-2H]- 288.14822 168.1
[M]+ 267.17300 163.0
[M]- 267.17410 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