CID 383301

Nsc671414

Structural Information

Molecular Formula
C19H20N4S2
SMILES
CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC(=NN(C)C)S2
InChI
InChI=1S/C19H20N4S2/c1-13-5-9-15(10-6-13)20-17-18(25-19(24-17)22-23(3)4)21-16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKey
XXBWNVLVZRXTRA-UHFFFAOYSA-N
Compound name
N-[[4,5-bis[(4-methylphenyl)imino]-1,3-dithiolan-2-ylidene]amino]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11295 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12023 187.6
[M+Na]+ 391.10217 194.8
[M-H]- 367.10567 202.0
[M+NH4]+ 386.14677 204.1
[M+K]+ 407.07611 189.1
[M+H-H2O]+ 351.11021 178.1
[M+HCOO]- 413.11115 207.8
[M+CH3COO]- 427.12680 231.5
[M+Na-2H]- 389.08762 187.1
[M]+ 368.11240 190.4
[M]- 368.11350 190.4
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.