CID 9588980

186453-65-6

Structural Information

Molecular Formula
C19H23N5O2S
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H23N5O2S/c1-3-23(4-2)17-9-5-16(6-10-17)14-21-22-19(27)20-13-15-7-11-18(12-8-15)24(25)26/h5-12,14H,3-4,13H2,1-2H3,(H2,20,22,27)/b21-14+
InChIKey
SDPFBEZJZAIWRO-KGENOOAVSA-N
Compound name
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-nitrophenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.15726 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16454 188.7
[M+Na]+ 408.14648 190.2
[M-H]- 384.14998 196.6
[M+NH4]+ 403.19108 199.2
[M+K]+ 424.12042 181.8
[M+H-H2O]+ 368.15452 182.5
[M+HCOO]- 430.15546 211.8
[M+CH3COO]- 444.17111 226.6
[M+Na-2H]- 406.13193 192.4
[M]+ 385.15671 188.2
[M]- 385.15781 188.2
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.